SCHEMBL3254151

SCHEMBL3254151

CC(C)(C(=O)Nc1cc(C2C[CH]C2)[nH]n1)c1ccccn1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 19/20 0.45
CCNA2 P20248 16/20 0.45
CCNA1 P78396 16/20 0.45
CCNE1 P24864 4/20 0.44
GSK3B P49841 1/20 0.44
CCNB2 O95067 1/20 0.41
CCNE2 O96020 1/20 0.41
CDK1 P06493 1/20 0.41
CCNB1 P14635 1/20 0.41
CDK5 Q00535 1/20 0.41
CDK5R1 Q15078 1/20 0.41
CCNB3 Q8WWL7 1/20 0.41
NPY2R P49146 1/20 0.41

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
SCHEMBL3250409 0.84 CDK2 (0.51) CDK2CCNA2CCNA1CCNE1CCNB2
SCHEMBL3256718 0.80 CCNA2 (0.49) CDK2CCNA2CCNA1
SCHEMBL3124512 0.79 CDK2 (0.48) CDK2CCNA2CCNA1CCNE1GSK3B
SCHEMBL3125243 0.79 CDK2 (0.53) CDK2CCNE1GSK3B
SCHEMBL3125245 0.79 CDK2 (0.53) CDK2CCNE1GSK3B
SCHEMBL3257580 0.78 CCNA2 (0.59) CDK2CCNA2CCNA1
SCHEMBL3122495 0.78 CDK2 (0.51) CDK2CCNE1GSK3B
SCHEMBL3124519 0.78 CCNE1 (0.53) CDK2CCNE1GSK3B
SCHEMBL3122489 0.78 CDK2 (0.51) CDK2CCNE1GSK3B
SCHEMBL3131586 0.77 CDK2 (0.46) CDK2CCNA2CCNA1CCNE1GSK3B

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