SCHEMBL27570619

SCHEMBL27570619

CC(C)c1ccc(N(C(N)=O)c2ncc(C(C)C)s2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 7/20 0.38
CCNE1 P24864 6/20 0.38
CDK5 Q00535 6/20 0.38
MLYCD O95822 1/20 0.36
ALOX5 P09917 6/20 0.35
CCNT1 O60563 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CDK1 P06493 1/20 0.34
CDK4 P11802 1/20 0.34
CCNB1 P14635 1/20 0.34
CCNA2 P20248 1/20 0.34
CCND1 P24385 1/20 0.34
CDK7 P50613 1/20 0.34
CDK9 P50750 1/20 0.34
CCNH P51946 1/20 0.34
MNAT1 P51948 1/20 0.34
CDK5R1 Q15078 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ICAM1 P05362 1/20 0.33
SELE P16581 1/20 0.33

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
SCHEMBL27572548 0.92 CDK2 (0.38) CDK2CCNE1CDK5MLYCDALOX5
SCHEMBL27574287 0.91 CCNE1 (0.37) CDK2CCNE1CDK5MLYCDALOX5
SCHEMBL7257113 0.89 CDK2 (0.38) CDK2CCNE1CDK5MLYCDALOX5
SCHEMBL6710898 0.88 MLYCD (0.38) CDK2CCNE1CDK5MLYCDALOX5
SCHEMBL6711707 0.88 MLYCD (0.47) CDK2CCNE1CDK5MLYCDALOX5
SCHEMBL27574281 0.87 CDK2 (0.38) CDK2CCNE1CDK5MLYCDALOX5
SCHEMBL27551074 0.86 CDK2 (0.38) CDK2CCNE1CDK5MLYCDALOX5
SCHEMBL27551031 0.86 CDK2 (0.38) CDK2CCNE1CDK5MLYCDALOX5
SCHEMBL6715792 0.85 MAPT (0.41) CDK2CCNE1CDK5MLYCDALOX5
SCHEMBL27574286 0.85 MLYCD (0.39) CDK2CCNE1CDK5MLYCDALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1325390-A 2-ureido-thiazole derivatives, process for their preparation, and their use as antitumor agents PHARMACIA & UPJOHN SPA (IT) 2001-12-05 CN claimed
CN-1325390-A 2-ureido-thiazole derivatives, process for their preparation, and their use as antitumor agents PHARMACIA & UPJOHN SPA (IT) 2001-12-05 CN disclosed