SCHEMBL6358729

SCHEMBL6358729

Nc1nc(Cl)c2[nH]c(C(F)(F)F)nc2n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.43
HSD17B10 Q99714 2/20 0.40
HTT P42858 1/20 0.40
TRAP1 Q12931 3/20 0.38
HSP90B1 P14625 2/20 0.38
CSNK2A1 P68400 2/20 0.37
CSNK2A2 P19784 1/20 0.37
CSNK2B P67870 1/20 0.37
MAPT P10636 3/20 0.36
KDM4E B2RXH2 1/20 0.36
HSP90AA1 P07900 1/20 0.34
HCAR2 Q8TDS4 1/20 0.34
NPSR1 Q6W5P4 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PKM P14618 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
HPGD P15428 1/20 0.33
ALOX15 P16050 1/20 0.33

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
SCHEMBL1271629 0.81 PDPK1 (0.40) CSNK2A1CSNK2A2CSNK2BMAPTKDM4E
SCHEMBL6356987 0.75 PNP (0.54) DPP4HSD17B10CSNK2A1CSNK2A2CSNK2B
SCHEMBL3158628 0.75 DPP4 (0.50) DPP4TRAP1HSP90B1HSP90AA1
SCHEMBL6358281 0.72 NUDT1 (0.58) DPP4TRAP1HSP90B1CSNK2A1HSP90AA1
SCHEMBL1270584 0.71 PNP (0.66) HSD17B10MAPTKDM4EALDH1A1HPGD
SCHEMBL6358728 0.71 MAPT (0.39) HSD17B10HTTTRAP1HSP90B1CSNK2A1
SCHEMBL8080150 0.69 DPP4 (0.44) DPP4L3MBTL1
SCHEMBL3651176 0.69 HSD17B10 (0.39) HSD17B10HTTCSNK2A1CSNK2A2CSNK2B
SCHEMBL6363421 0.68 DPP4 (0.43) DPP4TRAP1HSP90B1ALDH1A1CYP1A2
SCHEMBL23851630 0.65 KDM4E (0.36) DPP4HSD17B10TRAP1HSP90B1KDM4E

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-1923171-B Compound recipe anti-cancer drugs slow release agent comprising anticancer antibiotics and synergist thereof JINAN KANGQUAN PHARMACEUTICAL CO LTD 2010-05-19 CN disclosed
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-101244034-A Sustained-release agent containing taxone and its synergistic agent JINAN KANGQUAN PHARMACEUTICAL (CN) 2008-08-20 CN disclosed
CN-101244033-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
EP-0775142-B1 SUBSTITUTED O6 -BENZYLGUANINES US HEALTH (US) 2001-10-24 EP 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