SCHEMBL6358672

SCHEMBL6358672

Nc1nc(N)c(Br)c(OCc2ccccc2)n1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGMT P16455 9/20 0.66
CDK1 P06493 2/20 0.66
CCNB1 P14635 2/20 0.66
CCNA2 P20248 2/20 0.66
CDK2 P24941 2/20 0.66
CCNA1 P78396 2/20 0.66
CYP3A4 P08684 2/20 0.55
PIN1 Q13526 2/20 0.55
MPO P05164 1/20 0.55
TPO P07202 1/20 0.55
EPX P11678 1/20 0.55
LMNA P02545 1/20 0.55
CYP1A2 P05177 1/20 0.55
CYP2D6 P10635 1/20 0.55
CYP2C9 P11712 1/20 0.55
TSHR P16473 1/20 0.55
NFKB1 P19838 1/20 0.55
CYP2C19 P33261 1/20 0.55
BLM P54132 1/20 0.55
PMP22 Q01453 1/20 0.55

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3338311 0.85 MGMT (0.68) MGMTCDK1CCNB1CCNA2CDK2
SCHEMBL16852229 0.82 MGMT (0.64) MGMTCDK1CCNB1CCNA2CDK2
SCHEMBL2054835 0.80 MGMT (1.00) MGMTCDK1CCNB1CCNA2CDK2
SCHEMBL669089 0.79 MGMT (0.52) MGMTCDK1CCNB1CCNA2CDK2
SCHEMBL6362726 0.78 MGMT (0.63) MGMTCDK1CCNB1CCNA2CDK2
SCHEMBL6362719 0.78 MGMT (0.63) MGMTCDK1CCNB1CCNA2CDK2
SCHEMBL7144843 0.78 ADORA2A (0.49) MGMTCDK1CCNB1CCNA2CDK2
SCHEMBL21226762 0.77 MGMT (0.51) MGMTCDK1CCNB1CCNA2CDK2
SCHEMBL25345378 0.77 MGMT (0.50) MGMTCDK1CCNB1CCNA2CDK2
SCHEMBL557629 0.77 MGMT (0.50) MGMTCDK1CCNB1CCNA2CDK2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100563710-C The anticancer medicine slow-release preparation containing that contains pyrimidine analogue JINAN SHUAIHUA MEDICINE SCI TE (CN) 2009-12-02 CN disclosed
CN-100500215-C Sustained-release injection containing methotrexate and synergist thereof JINAN SHUAIHUA MEDICINE SCI TE (CN) 2009-06-17 CN disclosed
CN-101380306-A Compound platinum medicine sustained-release agent JINAN SHUAIHUA PHARMACEUTICAL (CN) 2009-03-11 CN disclosed
CN-101380297-A Compound platinum medicine sustained-release agent JINAN SHUAIHUA PHARMACEUTICAL (CN) 2009-03-11 CN disclosed
CN-101292956-A Sustained-release injection containing methotrexate and its synergistic agent JINAN SHUAIHUA PHARMACEUTICAL (CN) 2008-10-29 CN disclosed
CN-101292955-A Sustained-release injection containing fluorouracil synergistic agent and preparation method thereof JINAN SHUAIHUA PHARMACEUTICAL (CN) 2008-10-29 CN disclosed
CN-101244033-A Sustained-release agent containing taxone and its synergistic agent JINAN KANGQUAN PHARMACEUTICAL (CN) 2008-08-20 CN disclosed
CN-101244034-A Sustained-release agent containing taxone and its synergistic agent JINAN KANGQUAN PHARMACEUTICAL (CN) 2008-08-20 CN disclosed
CN-100386115-C Anti-cancer medicine composition QINGZHONG KONG (CN) 2008-05-07 CN disclosed
CN-1923171-A Compound recipe anti-cancer drugs slow release agent comprising anticancer antibiotics and booster thereof JINAN KANGQUAN PHARMACEUTICAL (CN) 2007-03-07 CN disclosed
US-6333331-B1 USEFUL IN INACTIVATING THE HUMAN DNA REPAIR PROTEIN O.SUP.6 -ALKYLGUANINE-DNA ALKYLTRANSFERASE; ANTICANCER AGENTS THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES 2001-12-25 US disclosed
US-6303604-B1 USED AS ANTINEOPLASTIC ALKYLATING AGENT WHICH CAUSES CYTOTOXIC LESIONS AT THE O.SUP.6-POSITION OF QUANINE THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES 2001-10-16 US disclosed
EP-1142893-A1 Substituted O6-benzylguanines and 6(4)-benzyloxypyrimidines THE UNITED STATES OF AMERICA, as represented by THE SECRETARY, Department of Health and Human Services (US) 2001-10-10 EP disclosed
US-6172070-B1 IN POLYOXYETHYLENE GLYCOL CARRIER THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES 2001-01-09 US disclosed
US-5958932-A ANTITUMOR AGENT THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1999-09-28 US disclosed
US-5916894-A Substituted 06-benzylguanines and 6(4)-benzyloxypyrimidines THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1999-06-29 US disclosed
US-5753668-A Substituted benzyloxypyrimidines and their inactivation of O6 -alkylguanine-DNA alkyltransferase THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1998-05-19 US disclosed
EP-0775142-A1 SUBSTITUTED O6 -BENZYLGUANINES AND 6(4)-BENZYLOXYPYRIMIDINES THE UNITED STATES OF AMERICA, as represented by THE SECRETARY, Department of Health and Human Services (US) 1997-05-28 EP disclosed
US-5525606-A CHEMOTHERAPEUTIC ANTITUMOR AGENT THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1996-06-11 US disclosed
WO-1996004281-A1 SUBSTITUTED O6-BENZYLGUANINES AND 6(4)-BENZYLOXYPYRIMIDINES THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1996-02-15 WO disclosed