SCHEMBL3134607

SCHEMBL3134607

CCCCNC(=O)NN1Cc2[nH]nc(NC(=O)Cc3ccc(C)cc3)c2C1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 13/20 0.59
CCNA2 P20248 11/20 0.59
CCNA1 P78396 11/20 0.59
AURKA O14965 6/20 0.59
CDK1 P06493 4/20 0.59
MAPK1 P28482 3/20 0.59
GSK3B P49841 3/20 0.59
CCNB2 O95067 2/20 0.59
CCNE2 O96020 2/20 0.59
CCNB1 P14635 2/20 0.59
CCNE1 P24864 2/20 0.59
CDK5 Q00535 2/20 0.59
CDK5R1 Q15078 2/20 0.59
CCNB3 Q8WWL7 2/20 0.59
HPGD P15428 1/20 0.49
GSK3A P49840 1/20 0.43
CDK4 P11802 1/20 0.41
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
ALB P02768 1/20 0.39

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
SCHEMBL3140436 0.92 CDK2 (0.59) CDK2CCNA2CCNA1AURKACDK1
SCHEMBL2925638 0.91 CDK2 (0.57) CDK2CCNA2CCNA1AURKACDK1
SCHEMBL4238904 0.89 CDK2 (0.58) CDK2CCNA2CCNA1AURKACDK1
SCHEMBL2922937 0.88 CDK2 (0.77) CDK2CCNA2CCNA1AURKACDK1
SCHEMBL2921851 0.87 CDK2 (0.77) CDK2CCNA2CCNA1AURKACDK1
SCHEMBL2924144 0.85 CDK2 (0.54) CDK2CCNA2CCNA1AURKACDK1
SCHEMBL2925306 0.85 CDK2 (0.79) CDK2CCNA2CCNA1AURKACDK1
SCHEMBL3134595 0.84 HPGD (0.48) CDK2CCNA2CCNA1AURKACDK1
SCHEMBL2924756 0.81 CDK2 (0.66) CDK2CCNA2CCNA1AURKACDK1
SCHEMBL2922889 0.80 CCNA2 (0.52) CDK2CCNA2CCNA1AURKACDK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1320531-B1 BICYCLO-PYRAZOLES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM PFIZER ITALIA SRL (IT) 2010-09-08 EP claimed