SCHEMBL27570620

SCHEMBL27570620

CC(C)c1cnc(N(C(N)=O)c2ccccc2Cl)s1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNE1 P24864 6/20 0.40
CDK2 P24941 6/20 0.40
CDK5 Q00535 6/20 0.40
ALOX5 P09917 10/20 0.39
CCNT1 O60563 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CDK1 P06493 1/20 0.38
CDK4 P11802 1/20 0.38
CCNB1 P14635 1/20 0.38
CCNA2 P20248 1/20 0.38
CCND1 P24385 1/20 0.38
CDK7 P50613 1/20 0.38
CDK9 P50750 1/20 0.38
CCNH P51946 1/20 0.38
MNAT1 P51948 1/20 0.38
CDK5R1 Q15078 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MAPK14 Q16539 1/20 0.35
CYP1A2 P05177 2/20 0.34
PTGES O14684 1/20 0.34

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
SCHEMBL27551198 0.86 CCNE1 (0.40) CCNE1CDK2CDK5ALOX5CCNT1
SCHEMBL27551112 0.86 CCNE1 (0.40) CCNE1CDK2CDK5ALOX5CCNT1
SCHEMBL6711707 0.82 MLYCD (0.47) CCNE1CDK2CDK5ALOX5CCNT1
SCHEMBL28748140 0.81 CCNE1 (0.37) CCNE1CDK2CDK5ALOX5CCNT1
SCHEMBL27570602 0.81 ALOX5 (0.45) CCNE1CDK2CDK5ALOX5CCNT1
SCHEMBL27551028 0.81 USP30 (0.40) CCNE1CDK2CDK5ALOX5MAPK14
SCHEMBL27572609 0.81 MAPK14 (0.34) CCNE1CDK2CDK5ALDH1A1SMN1; SMN2
SCHEMBL27574287 0.80 CCNE1 (0.37) CCNE1CDK2CDK5ALOX5CCNT1
SCHEMBL27551059 0.78 HTR3E (0.38) CCNE1CDK2CDK5ALOX5CCNT1
SCHEMBL27570619 0.78 CDK2 (0.38) CCNE1CDK2CDK5ALOX5CCNT1

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