SCHEMBL5835808

SCHEMBL5835808

CCCCCc1ccc(C(=O)Nc2ncc(C(C)C)s2)cc1

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CCNE1 P24864 5/20 0.65
CDK2 P24941 5/20 0.65
CDK5 Q00535 5/20 0.65
TRPV1 Q8NER1 11/20 0.53
CCNT1 O60563 1/20 0.52
ALDH1A1 P00352 1/20 0.52
CDK1 P06493 1/20 0.52
CDK4 P11802 1/20 0.52
CCNB1 P14635 1/20 0.52
CCNA2 P20248 1/20 0.52
CCND1 P24385 1/20 0.52
CDK7 P50613 1/20 0.52
CDK9 P50750 1/20 0.52
CCNH P51946 1/20 0.52
MNAT1 P51948 1/20 0.52
CDK5R1 Q15078 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
PLK1 P53350 2/20 0.47
PLK3 Q9H4B4 2/20 0.47

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
SCHEMBL5836176 0.86 CCNE1 (0.65) CCNE1CDK2CDK5CCNT1ALDH1A1
SCHEMBL5835973 0.85 CDK2 (0.71) CCNE1CDK2CDK5CCNT1ALDH1A1
SCHEMBL6279308 0.81 CDK2 (0.67) CCNE1CDK2CDK5TRPV1CCNT1
SCHEMBL5835807 0.81 CCNE1 (0.65) CCNE1CDK2CDK5CCNT1ALDH1A1
SCHEMBL6176147 0.81 CDK2 (0.82) CCNE1CDK2CDK5CCNT1ALDH1A1
SCHEMBL5835261 0.81 CDK2 (0.77) CCNE1CDK2CDK5CCNT1ALDH1A1
SCHEMBL5836120 0.81 CDK2 (0.77) CCNE1CDK2CDK5CCNT1ALDH1A1
SCHEMBL5835791 0.81 CDK2 (0.77) CCNE1CDK2CDK5CCNT1ALDH1A1
SCHEMBL5836073 0.81 CCNE1 (0.68) CCNE1CDK2CDK5CCNT1ALDH1A1
SCHEMBL5835551 0.80 CDK2 (0.75) CCNE1CDK2CDK5CCNT1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7037929-B1 2-amino-thiazole derivatives, process for their preparation, and their use as antitumor agents PHARMACIA & UPJOHN S.P.A. (IT) 2006-05-02 US claimed
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
US-7037929-B1 2-amino-thiazole derivatives, process for their preparation, and their use as antitumor agents PHARMACIA & UPJOHN S.P.A. (IT) 2006-05-02 US disclosed
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 disclosed
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 disclosed