SCHEMBL3134595

SCHEMBL3134595

CCCCNC(=O)NN1Cc2n[nH]c(NC(=O)Cc3ccc(C)cc3)c2C1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.48
CDK2 P24941 5/20 0.42
CCNA2 P20248 4/20 0.42
CCNA1 P78396 4/20 0.42
CDK1 P06493 2/20 0.42
AURKA O14965 1/20 0.42
CCNB2 O95067 1/20 0.42
CCNE2 O96020 1/20 0.42
CCNB1 P14635 1/20 0.42
CCNE1 P24864 1/20 0.42
MAPK1 P28482 1/20 0.42
GSK3B P49841 1/20 0.42
CDK5 Q00535 1/20 0.42
CDK5R1 Q15078 1/20 0.42
CCNB3 Q8WWL7 1/20 0.42
LMNA P02545 2/20 0.38
ALDH1A1 P00352 1/20 0.38
ALB P02768 1/20 0.38
CYP2C9 P11712 1/20 0.38
TSHR P16473 1/20 0.38

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
SCHEMBL3140421 0.92 CDK2 (0.42) HPGDCDK2CCNA2CCNA1CDK1
SCHEMBL2925642 0.91 CCNA2 (0.41) HPGDCDK2CCNA2CCNA1CDK1
SCHEMBL4238899 0.89 CDK2 (0.42) HPGDCDK2CCNA2CCNA1CDK1
SCHEMBL2921846 0.87 CCNA2 (0.57) CDK2CCNA2CCNA1CDK1AURKA
SCHEMBL2924138 0.86 NAMPT (0.40) HPGDCDK2CCNA2CCNA1CDK1
SCHEMBL7200164 0.85 CDK2 (0.41) CDK2CCNA2CCNA1CDK1AURKA
SCHEMBL3134607 0.84 CDK2 (0.59) HPGDCDK2CCNA2CCNA1CDK1
SCHEMBL2921186 0.84 CCNA2 (0.41) CDK2CCNA2CCNA1CDK1AURKA
SCHEMBL2924751 0.82 CDK2 (0.44) HPGDCDK2CCNA2CCNA1AURKA
SCHEMBL2922886 0.81 TSHR (0.44) CDK2CCNA2CCNA1LMNAALDH1A1

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