SCHEMBL27574286

SCHEMBL27574286

CC(C)c1cnc(N(C(N)=O)c2ccc(C#N)cc2)s1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 2/20 0.39
CCNE1 P24864 5/20 0.35
CDK2 P24941 5/20 0.35
CDK5 Q00535 5/20 0.35
ALOX5 P09917 3/20 0.35
CHRNB2 P17787 1/20 0.34
CHRNB4 P30926 1/20 0.34
CHRNA3 P32297 1/20 0.34
CHRNA4 P43681 1/20 0.34
SLC22A12 Q96S37 2/20 0.34
MAP4K4 O95819 2/20 0.33
MINK1 Q8N4C8 2/20 0.33
TNIK Q9UKE5 2/20 0.33
MMP2 P08253 1/20 0.33
FDPS P14324 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
NPSR1 Q6W5P4 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
SCHEMBL27570743 0.86 VNN1 (0.37) MLYCDCCNE1CDK2CDK5ALOX5
SCHEMBL6711844 0.85 CCNE1 (0.35) MLYCDCCNE1CDK2CDK5ALOX5
SCHEMBL27572548 0.85 CDK2 (0.38) MLYCDCCNE1CDK2CDK5ALOX5
SCHEMBL27570619 0.85 CDK2 (0.38) MLYCDCCNE1CDK2CDK5ALOX5
SCHEMBL27574287 0.84 CCNE1 (0.37) MLYCDCCNE1CDK2CDK5ALOX5
SCHEMBL6711707 0.83 MLYCD (0.47) MLYCDCCNE1CDK2CDK5ALOX5
SCHEMBL27574281 0.82 CDK2 (0.38) MLYCDCCNE1CDK2CDK5ALOX5
SCHEMBL27551074 0.82 CDK2 (0.38) MLYCDCCNE1CDK2CDK5ALOX5
SCHEMBL27551031 0.81 CDK2 (0.38) MLYCDCCNE1CDK2CDK5ALOX5
SCHEMBL6715792 0.81 MAPT (0.41) MLYCDCCNE1CDK2CDK5ALOX5

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