SCHEMBL5836799

SCHEMBL5836799

CC(C)c1cnc(NC(=O)c2ccccc2C(F)(F)F)s1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 7/20 0.63
CCNE1 P24864 6/20 0.63
CDK5 Q00535 6/20 0.63
CCNT1 O60563 1/20 0.53
ALDH1A1 P00352 1/20 0.53
CDK1 P06493 1/20 0.53
CDK4 P11802 1/20 0.53
CCNB1 P14635 1/20 0.53
CCNA2 P20248 1/20 0.53
CCND1 P24385 1/20 0.53
CDK7 P50613 1/20 0.53
CDK9 P50750 1/20 0.53
CCNH P51946 1/20 0.53
MNAT1 P51948 1/20 0.53
CDK5R1 Q15078 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
LMNA P02545 1/20 0.47
GAA P10253 1/20 0.47
FDPS P14324 1/20 0.44
STIM1 Q13586 1/20 0.44

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
SCHEMBL5835818 0.90 CDK2 (0.56) CDK2CCNE1CDK5CCNT1ALDH1A1
SCHEMBL5835474 0.86 CDK2 (0.61) CDK2CCNE1CDK5CCNT1ALDH1A1
SCHEMBL24074065 0.84 NPC1 (0.60) ALDH1A1SMN1; SMN2LMNAGAAABL1
SCHEMBL5836136 0.84 CCNE1 (0.67) CDK2CCNE1CDK5CCNT1ALDH1A1
SCHEMBL6177659 0.82 CDK2 (0.73) CDK2CCNE1CDK5CCNT1ALDH1A1
SCHEMBL5836180 0.82 CDK2 (0.69) CDK2CCNE1CDK5CCNT1ALDH1A1
SCHEMBL5835988 0.81 CDK2 (0.67) CDK2CCNE1CDK5CCNT1ALDH1A1
SCHEMBL5835664 0.81 CDK2 (0.67) CDK2CCNE1CDK5CCNT1ALDH1A1
SCHEMBL5835388 0.81 CDK2 (0.67) CDK2CCNE1CDK5CCNT1ALDH1A1
SCHEMBL5835994 0.80 CCNE1 (0.65) CDK2CCNE1CDK5CCNT1ALDH1A1

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