SCHEMBL3432471

SCHEMBL3432471

CCCCNC(=O)NN1Cc2[nH]nc(N(C(C)=O)c3ccc(N4CCCC4=O)cc3)c2C1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 2/20 0.51
CDK2 P24941 2/20 0.51
CCNA1 P78396 2/20 0.51
CYP1A2 P05177 1/20 0.43
USP2 O75604 2/20 0.43
ALDH1A1 P00352 8/20 0.40
HSD17B10 Q99714 1/20 0.40
MAPT P10636 4/20 0.39
TSHR P16473 2/20 0.39
SMN1; SMN2 Q16637 3/20 0.37
LMNA P02545 2/20 0.37
HPGD P15428 2/20 0.37
RECQL P46063 1/20 0.36
AURKA O14965 1/20 0.36
CCNB2 O95067 1/20 0.36
CCNE2 O96020 1/20 0.36
CDK1 P06493 1/20 0.36
CCNB1 P14635 1/20 0.36
CCNE1 P24864 1/20 0.36
MAPK1 P28482 1/20 0.36

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
SCHEMBL3434473 0.82 RAB9A (0.39) CCNA2CDK2CCNA1ALDH1A1MAPT
SCHEMBL7172622 0.81 F10 (0.41) CCNA2CDK2CCNA1ALDH1A1MAPT
SCHEMBL2925306 0.79 CDK2 (0.79) CCNA2CDK2CCNA1CYP1A2USP2
SCHEMBL2914368 0.78 CCNA2 (0.59) CCNA2CDK2CCNA1CYP1A2USP2
SCHEMBL2925302 0.73 USP2 (0.45) CCNA2CDK2CCNA1CYP1A2USP2
SCHEMBL2914371 0.73 CCNA2 (0.47) CCNA2CDK2CCNA1CYP1A2USP2
SCHEMBL2914369 0.72 CCNA2 (0.45) CCNA2CDK2CCNA1CYP1A2USP2
SCHEMBL2957863 0.70 CDK2 (0.68) CCNA2CDK2CCNA1USP2MAPT
SCHEMBL7170691 0.69 MAPK1 (0.40) AURKAMAPK1
SCHEMBL2925309 0.67 CCNA2 (0.46) CCNA2CDK2CCNA1CYP1A2USP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4555547-B2 2010-10-06 JP claimed
JP-2004505977-A 2004-02-26 JP claimed
EP-1320531-A2 BICYCLO-PYRAZOLES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM Pharmacia Italia S.p.A. (IT) 2003-06-25 EP claimed
WO-2002012242-A2 BICYCLO-PYRAZOLES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM PHARMACIA ITALIA S.P.A. (IT) 2002-02-14 WO claimed