SCHEMBL5835649

SCHEMBL5835649

CC(C)c1cnc(NC(=O)c2ccc(Cl)cc2Cl)s1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNE1 P24864 6/20 0.57
CDK2 P24941 6/20 0.57
CDK5 Q00535 6/20 0.57
NPC1 O15118 5/20 0.52
RAB9A P51151 5/20 0.52
ALDH1A1 P00352 3/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
MAPT P10636 1/20 0.52
HPGD P15428 1/20 0.52
DHODH Q02127 1/20 0.52
LMNA P02545 1/20 0.49
L3MBTL1 Q9Y468 2/20 0.48
CCNT1 O60563 1/20 0.48
CDK1 P06493 1/20 0.48
CDK4 P11802 1/20 0.48
CCNB1 P14635 1/20 0.48
CCNA2 P20248 1/20 0.48
CCND1 P24385 1/20 0.48
CDK7 P50613 1/20 0.48
CDK9 P50750 1/20 0.48

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
SCHEMBL5835944 0.90 CDK2 (0.57) CCNE1CDK2CDK5ALDH1A1SMN1; SMN2
SCHEMBL5835711 0.88 CDK2 (0.55) CCNE1CDK2CDK5NPC1RAB9A
SCHEMBL30771747 0.86 KCNMA1 (0.57) CCNE1CDK2CDK5ALDH1A1SMN1; SMN2
SCHEMBL24460244 0.86 KCNMA1 (0.57) CCNE1CDK2CDK5ALDH1A1SMN1; SMN2
SCHEMBL5835388 0.85 CDK2 (0.67) CCNE1CDK2CDK5NPC1RAB9A
SCHEMBL5836064 0.84 MAPT (0.57) CCNE1CDK2CDK5NPC1RAB9A
SCHEMBL5836333 0.84 ALDH1A1 (0.61) CCNE1CDK2CDK5NPC1RAB9A
SCHEMBL5835868 0.83 KCNMA1 (0.61) CCNE1CDK2CDK5NPC1ALDH1A1
SCHEMBL14825055 0.83 RAB9A (0.58) NPC1RAB9AALDH1A1SMN1; SMN2MAPT
SCHEMBL5835954 0.82 CCNE1 (0.60) CCNE1CDK2CDK5ALDH1A1SMN1; SMN2

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 4 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