SCHEMBL5084936

SCHEMBL5084936

NC(=O)c1[nH]nc2cncnc12

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 2/20 0.39
CDK2 P24941 2/20 0.39
CCNA1 P78396 2/20 0.39
PDPK1 O15530 1/20 0.38
RPS6KB1 P23443 12/20 0.35
AKT1 P31749 5/20 0.35
GDA Q9Y2T3 1/20 0.34
ADORA3 P0DMS8 1/20 0.32
TSHR P16473 1/20 0.32
MC4R P32245 1/20 0.32
ADRA1A P35348 1/20 0.32
MC3R P41968 1/20 0.32
CSNK2A2 P19784 1/20 0.31
CSNK2B P67870 1/20 0.31

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
SCHEMBL4083214 0.84 HCAR2 (0.36) RPS6KB1AKT1CSNK2A2CSNK2B
SCHEMBL3120919 0.83
SCHEMBL1689336 0.72 CCNA2 (0.42) CCNA2CDK2CCNA1PDPK1RPS6KB1
SCHEMBL1559614 0.72 CCNA2 (0.52) CCNA2CDK2CCNA1PDPK1RPS6KB1
SCHEMBL14763163 0.72 CDK9 (0.36) CCNA2CDK2
SCHEMBL10726068 0.72 PIM1 (0.31)
SCHEMBL3117771 0.72 PIM1 (0.31)
Hydrochloric Acid SCHEMBL1560040 0.71 CCNA2 (0.51) CCNA2CDK2CCNA1PDPK1RPS6KB1
SCHEMBL3985165 0.69 MAP2 (0.46) CCNA2CDK2CCNA1PDPK1ADORA3
SCHEMBL5084942 0.69 RPS6KB1 (0.38) CCNA2CDK2CCNA1RPS6KB1AKT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1689752-A1 PYRAZOLOPYRIMIDINES Pfizer Limited (GB) 2006-08-16 EP claimed
WO-2005049617-A1 PYRAZOLOPYRIMIDINES PFIZER LIMITED (GB) 2005-06-02 WO claimed
EP-2911672-A1 USE OF A TETRASUBSTITUTED PYRAZOLO[4,3-D]PYRIMIDINE COMPOUND FOR TREATING DIABETIC NEPHROPATHY Pfizer Inc. (US) 2015-09-02 EP disclosed
WO-2014064566-A1 USE OF A TETRASUBSTITUTED PYRAZOLO[4,3-D]PYRIMIDINE COMPOUND FOR TREATING DIABETIC NEPHROPATHY PFIZER INC. (US) 2014-05-01 WO disclosed
WO-2008132589-A1 COMBINATIONS COMPRISING PREGABALIN PFIZER LIMITED (GB) 2008-11-06 WO disclosed