SCHEMBL6174422

SCHEMBL6174422

CC(C)c1cnc(NC(=O)CCC(Cc2ccccc2)(NC(=O)OCc2ccccc2)C(=O)O)s1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNE1 P24864 11/20 0.55
CDK2 P24941 11/20 0.55
CDK5 Q00535 9/20 0.55
CDK1 P06493 2/20 0.55
CDK4 P11802 2/20 0.55
CCNB1 P14635 2/20 0.55
CCND1 P24385 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
CCNT1 O60563 1/20 0.55
ALDH1A1 P00352 1/20 0.55
CCNA2 P20248 1/20 0.55
CDK7 P50613 1/20 0.55
CDK9 P50750 1/20 0.55
CCNH P51946 1/20 0.55
MNAT1 P51948 1/20 0.55
CDK5R1 Q15078 1/20 0.55
CCNE2 O96020 2/20 0.40
MAPK1 P28482 1/20 0.39
CCNB2 O95067 1/20 0.39
CCNB3 Q8WWL7 1/20 0.39

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
SCHEMBL13934304 0.80 CDK2 (0.67) CCNE1CDK2CDK5CDK1CDK4
SCHEMBL5836734 0.80 CCNE1 (0.59) CCNE1CDK2CDK5CDK1CDK4
SCHEMBL6187549 0.80 CCNE1 (0.59) CCNE1CDK2CDK5CDK1CDK4
SCHEMBL5835710 0.79 CCNE1 (0.61) CCNE1CDK2CDK5CDK1CDK4
SCHEMBL5835640 0.78 CCNE1 (0.59) CCNE1CDK2CDK5CDK1CDK4
SCHEMBL10545550 0.75 CTSS (0.42) ALDH1A1
SCHEMBL5836908 0.75 CCNE1 (0.55) CCNE1CDK2CDK5CDK1CDK4
SCHEMBL5836598 0.75 CCNE1 (0.77) CCNE1CDK2CDK5CDK1CDK4
SCHEMBL2917076 0.75 HTT (0.51) SMN1; SMN2ALDH1A1
SCHEMBL2921263 0.75 HTT (0.51) SMN1; SMN2ALDH1A1

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
EP-1124810-B9 2-AMINO-THIAZOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND THEIR USE AS ANTITUMOR AGENTS PHARMACIA ITALIA SPA (IT) 2005-12-28 EP claimed
EP-1124810-B1 2-AMINO-THIAZOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND THEIR USE AS ANTITUMOR AGENTS PHARMACIA ITALIA SPA (IT) 2005-05-04 EP claimed