SCHEMBL5835404

SCHEMBL5835404

CC(C)c1cnc(NC(=O)CCCc2ccccc2)s1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNE1 P24864 6/20 0.75
CDK2 P24941 6/20 0.75
CDK5 Q00535 6/20 0.75
SMN1; SMN2 Q16637 2/20 0.75
ALDH1A1 P00352 2/20 0.75
CCNT1 O60563 1/20 0.75
CDK1 P06493 1/20 0.75
CDK4 P11802 1/20 0.75
CCNB1 P14635 1/20 0.75
CCNA2 P20248 1/20 0.75
CCND1 P24385 1/20 0.75
CDK7 P50613 1/20 0.75
CDK9 P50750 1/20 0.75
CCNH P51946 1/20 0.75
MNAT1 P51948 1/20 0.75
CDK5R1 Q15078 1/20 0.75
NPC1 O15118 2/20 0.54
RAB9A P51151 2/20 0.54
MAOB P27338 3/20 0.54
ADORA1 P30542 2/20 0.54

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
SCHEMBL5836598 0.94 CCNE1 (0.77) CCNE1CDK2CDK5SMN1; SMN2ALDH1A1
SCHEMBL6173277 0.86 CCNE1 (0.66) CCNE1CDK2CDK5SMN1; SMN2ALDH1A1
SCHEMBL1535301 0.86 CCNE1 (1.00) CCNE1CDK2CDK5SMN1; SMN2ALDH1A1
SCHEMBL5836016 0.85 CCNE1 (0.65) CCNE1CDK2CDK5SMN1; SMN2ALDH1A1
SCHEMBL21533498 0.85 CCNE1 (0.65) CCNE1CDK2CDK5SMN1; SMN2ALDH1A1
SCHEMBL21533567 0.85 SMN1; SMN2 (0.66) SMN1; SMN2NPC1RAB9AHTTKMT2A
SCHEMBL6173687 0.84 CCNE1 (0.64) CCNE1CDK2CDK5SMN1; SMN2ALDH1A1
SCHEMBL6191790 0.84 CDK2 (0.62) CCNE1CDK2CDK5SMN1; SMN2ALDH1A1
SCHEMBL5836095 0.84 MEN1 (0.55) CCNE1CDK2CDK5SMN1; SMN2ALDH1A1
SCHEMBL5835710 0.83 CCNE1 (0.61) CCNE1CDK2CDK5SMN1; 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 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