SCHEMBL5836013

SCHEMBL5836013

CC(C)c1cnc(NC(=O)c2ccc3[nH]nnc3c2)s1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 7/20 0.58
CCNE1 P24864 6/20 0.58
CDK5 Q00535 6/20 0.58
SMN1; SMN2 Q16637 3/20 0.44
ALDH1A1 P00352 2/20 0.44
CCNT1 O60563 1/20 0.44
CDK1 P06493 1/20 0.44
CDK4 P11802 1/20 0.44
CCNB1 P14635 1/20 0.44
CCNA2 P20248 1/20 0.44
CCND1 P24385 1/20 0.44
CDK7 P50613 1/20 0.44
CDK9 P50750 1/20 0.44
CCNH P51946 1/20 0.44
MNAT1 P51948 1/20 0.44
CDK5R1 Q15078 1/20 0.44
NPC1 O15118 6/20 0.42
RAB9A P51151 6/20 0.42
TDP1 Q9NUW8 1/20 0.41
FDPS P14324 1/20 0.41

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
SCHEMBL5836059 0.79 CCNE1 (0.59) CDK2CCNE1CDK5SMN1; SMN2ALDH1A1
SCHEMBL5835870 0.77 CDK2 (0.67) CDK2CCNE1CDK5SMN1; SMN2ALDH1A1
SCHEMBL5835398 0.76 CDK2 (0.59) CDK2CCNE1CDK5SMN1; SMN2ALDH1A1
SCHEMBL5836142 0.76 CCNE1 (0.74) CDK2CCNE1CDK5SMN1; SMN2ALDH1A1
SCHEMBL5836194 0.76 CDK2 (0.66) CDK2CCNE1CDK5SMN1; SMN2ALDH1A1
SCHEMBL5837029 0.76 CDK2 (0.66) CDK2CCNE1CDK5SMN1; SMN2ALDH1A1
SCHEMBL5836120 0.76 CDK2 (0.77) CDK2CCNE1CDK5SMN1; SMN2ALDH1A1
SCHEMBL6176147 0.76 CDK2 (0.82) CDK2CCNE1CDK5SMN1; SMN2ALDH1A1
SCHEMBL5835261 0.76 CDK2 (0.77) CDK2CCNE1CDK5SMN1; SMN2ALDH1A1
SCHEMBL5835791 0.76 CDK2 (0.77) CDK2CCNE1CDK5SMN1; 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
EP-1124810-A1 2-AMINO-THIAZOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND THEIR USE AS ANTITUMOR AGENTS PHARMACIA & UPJOHN S.p.A. (IT) 2001-08-22 EP claimed
WO-2000026202-A1 2-AMINO-THIAZOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND THEIR USE AS ANTITUMOR AGENTS PHARMACIA & UPJOHN S.P.A. (IT) 2000-05-11 WO 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