SCHEMBL5836142

SCHEMBL5836142

CC(C)c1cnc(NC(=O)c2ccc3ccccc3c2)s1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNE1 P24864 6/20 0.74
CDK2 P24941 6/20 0.74
CDK5 Q00535 6/20 0.74
NPC1 O15118 8/20 0.64
RAB9A P51151 8/20 0.64
MEN1 O00255 3/20 0.57
KMT2A Q03164 3/20 0.57
SMN1; SMN2 Q16637 2/20 0.55
CCNT1 O60563 1/20 0.55
ALDH1A1 P00352 1/20 0.55
CDK1 P06493 1/20 0.55
CDK4 P11802 1/20 0.55
CCNB1 P14635 1/20 0.55
CCNA2 P20248 1/20 0.55
CCND1 P24385 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

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
SCHEMBL6174999 0.87 CCNE1 (0.62) CCNE1CDK2CDK5NPC1RAB9A
SCHEMBL5478080 0.86 CCNE1 (0.55) CCNE1CDK2CDK5NPC1RAB9A
SCHEMBL5836102 0.85 CDK2 (1.00) CCNE1CDK2CDK5NPC1RAB9A
SCHEMBL5836051 0.85 CDK2 (0.70) CCNE1CDK2CDK5NPC1RAB9A
SCHEMBL5835810 0.83 CDK2 (0.85) CCNE1CDK2CDK5NPC1RAB9A
SCHEMBL5835870 0.83 CDK2 (0.67) CCNE1CDK2CDK5NPC1RAB9A
SCHEMBL5836464 0.82 CCNE1 (0.79) CCNE1CDK2CDK5NPC1RAB9A
SCHEMBL5836788 0.82 CCNE1 (0.73) CCNE1CDK2CDK5NPC1RAB9A
SCHEMBL5835398 0.82 CDK2 (0.59) CCNE1CDK2CDK5NPC1RAB9A
SCHEMBL5836059 0.82 CCNE1 (0.59) CCNE1CDK2CDK5NPC1RAB9A

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 8 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
CN-1325389-A 2-aminothiazole derivatives, process for preparing the same and their use as antitumor agents PHARMACIA & UPJOHN SPA (IT) 2001-12-05 CN 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
CN-1325389-A 2-aminothiazole derivatives, process for preparing the same and their use as antitumor agents PHARMACIA & UPJOHN SPA (IT) 2001-12-05 CN disclosed