SCHEMBL3250409

SCHEMBL3250409

CC(C)(C(=O)Nc1cc(C2C[CH]C2)[nH]n1)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 19/20 0.51
CCNA2 P20248 18/20 0.51
CCNA1 P78396 18/20 0.51
ELOVL1 Q9BW60 1/20 0.44
CCNE1 P24864 2/20 0.44
CDK5 Q00535 2/20 0.44
CDK5R1 Q15078 2/20 0.44
CCNB2 O95067 1/20 0.44
CCNE2 O96020 1/20 0.44
CDK1 P06493 1/20 0.44
CCNB1 P14635 1/20 0.44
CCNB3 Q8WWL7 1/20 0.44
CDK9 P50750 1/20 0.43

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
SCHEMBL3254151 0.84 CDK2 (0.45) CDK2CCNA2CCNA1CCNE1CDK5
SCHEMBL3256718 0.83 CCNA2 (0.49) CDK2CCNA2CCNA1
SCHEMBL3134092 0.78 CDK2 (0.54) CDK2CCNE1
SCHEMBL3134085 0.78 CDK2 (0.54) CDK2CCNE1
SCHEMBL3127495 0.77 CDK2 (0.51) CDK2CCNA2CCNA1CCNE1
SCHEMBL3127501 0.77 CDK2 (0.51) CDK2CCNA2CCNA1CCNE1
SCHEMBL3256672 0.74 CDK2 (0.44) CDK2CCNA2CCNA1CCNE1
SCHEMBL3124567 0.74 CDK2 (0.49) CDK2CCNE1
SCHEMBL3124572 0.74 CDK2 (0.49) CDK2CCNE1
SCHEMBL3136929 0.74 CDK2 (0.48) CDK2CCNE1

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-1689721-B1 AMINOPYRAZOLE DERIVATIVES AS GSK-3 INHIBITORS PFIZER PROD INC (US) 2010-07-14 EP claimed