SCHEMBL7992947

SCHEMBL7992947

CC(=O)Nc1ncc(-c2ccsc2CC(=O)OC(C)(C)C)s1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CCNE1 P24864 13/20 0.57
CDK2 P24941 13/20 0.57
CCNE2 O96020 11/20 0.57
CDK4 P11802 7/20 0.57
CDK1 P06493 6/20 0.57
CCND1 P24385 6/20 0.57
CCNB2 O95067 5/20 0.57
CCNB1 P14635 5/20 0.57
CCNB3 Q8WWL7 5/20 0.57
LIMK1 P53667 1/20 0.43
OGA O60502 1/20 0.39
CCND2 P30279 1/20 0.39
CCND3 P30281 1/20 0.39
CDK5 Q00535 1/20 0.36
POLB P06746 1/20 0.36
RAB9A P51151 1/20 0.36
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL5216993 0.72 CCNE1 (1.00) CCNE1CDK2CCNE2CDK4CDK1
SCHEMBL1260011 0.67 MAPK1 (0.42) CCNE1CDK2CCNE2CDK4CDK1
SCHEMBL22684986 0.66 CSNK2A2 (0.47) CCNE1CDK2CCNE2CDK4CDK1
SCHEMBL5840422 0.65 KDR (0.72) CCNE1CDK2CCNE2LIMK1CDK5
SCHEMBL27035775 0.65 PDK4 (0.47) CCNE1CDK2CCNE2CDK4CDK1
SCHEMBL9285608 0.64 ALDH1A1 (0.51) CCNE1CDK2CCNE2CDK4CDK1
SCHEMBL28014843 0.64 KDR (0.62) CCNE1CDK2CDK5
SCHEMBL1716179 0.64 LIMK1 (0.41) CCNE1CDK2LIMK1CDK5
SCHEMBL16513227 0.64 LIMK1 (0.46) CCNE1CDK2CCNE2CDK4CDK1
SCHEMBL28247393 0.64 LIMK1 (0.49) CCNE1CDK2LIMK1CDK5

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
US-6262096-B1 IN COMBINATION WITH A MODULATOR OF P53 TRANSACTIVATION FORMULATED AS A FIXED DOSE. BRISTOL-MYERS SQUIBB COMPANY 2001-07-17 US disclosed