SCHEMBL7840701

SCHEMBL7840701

O=C1Cc2cc(COc3ncnc4nc[nH]c34)ccc2N1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 3/20 0.55
DBF4 Q9UBU7 3/20 0.55
LMNA P02545 1/20 0.54
MAOB P27338 6/20 0.47
NEK2 P51955 1/20 0.42
CDK1 P06493 1/20 0.41
CDK2 P24941 1/20 0.41
AHR P35869 1/20 0.40
PDPK1 O15530 1/20 0.40
MAOA P21397 3/20 0.39
PIN1 Q13526 4/20 0.37
MGMT P16455 1/20 0.37
PDE3B Q13370 1/20 0.37
PDE3A Q14432 1/20 0.37

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
SCHEMBL7840018 0.82 SRC (0.44) CDC7DBF4LMNAMAOBNEK2
SCHEMBL7833822 0.82 NEK2 (0.44) CDC7DBF4MAOBNEK2AHR
SCHEMBL7830582 0.79 CDC7 (0.56) CDC7DBF4LMNA
SCHEMBL7829575 0.79 MAOB (0.47) LMNAMAOBAHRMAOAPDE3B
SCHEMBL7832920 0.78 CDC7 (0.61) CDC7DBF4LMNACDK1CDK2
SCHEMBL7836815 0.76 MAOB (0.43) MAOBAHRMAOAPDE3BPDE3A
SCHEMBL7840697 0.73 CDC7 (0.57) CDC7DBF4LMNACDK1CDK2
SCHEMBL7832613 0.73 CDC7 (0.53) CDC7DBF4LMNANEK2AHR
SCHEMBL1404475 0.71 CDC7 (1.00) CDC7DBF4LMNACDK1CDK2
SCHEMBL7822681 0.70 NEK2 (0.46) MAOBNEK2AHRPDPK1PDE3B

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0802914-B1 ARYL- AND HETEROARYL- PURINE AND PYRIDOPYRIMIDINE DERIVATIVES PHARMACIA & UPJOHN SPA (IT) 2001-06-06 EP claimed
US-5965563-A NOVEL PURINE DERIVATIVES SUCH AS N6-(2-OXINDOL-5-YL) ADENINE, METHODS OF SYNTHESIZING THEM; USE AS TYROSINE KINASE INHIBITORS PHARMACIA & UPJOHN S.P.A. (IT) 1999-10-12 US claimed
CN-1168138-A Aryl and heteroaryl purine compounds PHARMACIA & UPJOHN SPA (IT) 1997-12-17 CN claimed
EP-0802914-A1 ARYL AND HETEROARYL PURINE COMPOUNDS PHARMACIA & UPJOHN S.p.A. (IT) 1997-10-29 EP claimed
WO-1997018212-A1 ARYL AND HETEROARYL PURINE COMPOUNDS PHARMACIA & UPJOHN S.P.A. (IT) 1997-05-22 WO claimed
EP-0802914-B1 ARYL- AND HETEROARYL- PURINE AND PYRIDOPYRIMIDINE DERIVATIVES PHARMACIA & UPJOHN SPA (IT) 2001-06-06 EP disclosed
US-5965563-A NOVEL PURINE DERIVATIVES SUCH AS N6-(2-OXINDOL-5-YL) ADENINE, METHODS OF SYNTHESIZING THEM; USE AS TYROSINE KINASE INHIBITORS PHARMACIA & UPJOHN S.P.A. (IT) 1999-10-12 US disclosed
CN-1168138-A Aryl and heteroaryl purine compounds PHARMACIA & UPJOHN SPA (IT) 1997-12-17 CN disclosed
EP-0802914-A1 ARYL AND HETEROARYL PURINE COMPOUNDS PHARMACIA & UPJOHN S.p.A. (IT) 1997-10-29 EP disclosed
WO-1997018212-A1 ARYL AND HETEROARYL PURINE COMPOUNDS PHARMACIA & UPJOHN S.P.A. (IT) 1997-05-22 WO disclosed