SCHEMBL6358280

SCHEMBL6358280

Cc1nc2c(Cl)nc(N)nc2[nH]1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CSNK2A1 P68400 2/20 0.36
ADORA3 P0DMS8 1/20 0.35
HTT P42858 1/20 0.35
PARP1 P09874 4/20 0.35
ALDH1A1 P00352 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CHUK O15111 1/20 0.34
NUDT1 P36639 1/20 0.33
DHFR P00374 1/20 0.33
HSP90AA1 P07900 2/20 0.32
HSP90AB1 P08238 2/20 0.32
KDM4E B2RXH2 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
DPP4 P27487 1/20 0.32

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
SCHEMBL6356983 0.79 CHUK (0.36) CSNK2A1ALDH1A1CHUKNUDT1DHFR
SCHEMBL2953678 0.79 ADORA3 (0.38) CSNK2A1ADORA3PARP1ALDH1A1L3MBTL1
SCHEMBL3158626 0.79 CHUK (0.36) CHUKDHFRDPP4
SCHEMBL12592351 0.79 CSNK2A1 (0.38) CSNK2A1ADORA3HTTPARP1KDM4E
SCHEMBL22224331 0.79 PDK2 (0.41) CSNK2A1ADORA3HTTPARP1KDM4E
Hydrochloric Acid SCHEMBL31329224 0.78 CSNK2A1 (0.37) CSNK2A1ADORA3HTTPARP1
SCHEMBL8216344 0.76 ADORA3 (0.35) CSNK2A1ADORA3PARP1ALDH1A1L3MBTL1
SCHEMBL6363420 0.76 CHUK (0.32) L3MBTL1CHUKDHFRHSP90AA1HSP90AB1
SCHEMBL16513125 0.75 GAA (0.33) ADORA3PARP1ALDH1A1KDM4E
SCHEMBL19633362 0.72 CDK1 (0.37) CSNK2A1ADORA3HTTPARP1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100531718-C Slow-released injection containing methotrexate synergist JINAN SHUAIHUA MEDICINE SCI TE (CN) 2009-08-26 CN disclosed
CN-100500214-C Slow released anticancer injection JINAN SHUIHUA MEDICINE SCI TEC (CN) 2009-06-17 CN disclosed
CN-101390827-A Sustained-release injection containing methotrexate synergist JINAN SHUAIHUA MEDICINE TECHNO (CN) 2009-03-25 CN disclosed
CN-100431605-C Anticarcinogen composition LANJIN BIOLOG ENGINEERING CO L (CN) 2008-11-12 CN disclosed
CN-101292954-A Anti-cancer medicament sustained-release injection JINAN SHUAIHUA PHARMACEUTICAL (CN) 2008-10-29 CN disclosed
CN-100402091-C Anticarcinogen composition SHANDONG LANJIN BIOLOG ENGINEE (CN) 2008-07-16 CN disclosed
CN-101214220-A Sustained-release injection containing amethopterin synergist JINAN SHUAIHUA MEDICAL TECHNOL (CN) 2008-07-09 CN disclosed
CN-100350975-C Anticarcinogen composition LANJIN BIOLOG ENGINEERING CO L (CN) 2007-11-28 CN disclosed
CN-100350974-C Anticarcinogen composition LANJIN BIOLOG ENGINEERING CO L (CN) 2007-11-28 CN disclosed
CN-101045059-A Anticarcinogen composition carried with both nitrosourea type medicine and guanine analog SHUAIHUA MEDICAL SCIENCE & TEC (CN) 2007-10-03 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