SCHEMBL5836772

SCHEMBL5836772

CC(C)c1cnc(NC(=O)c2ccc(F)cc2[N+](=O)[O-])s1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 7/20 0.51
CCNE1 P24864 6/20 0.51
CDK5 Q00535 6/20 0.51
STAT3 P40763 5/20 0.47
ALDH1A1 P00352 4/20 0.45
SMN1; SMN2 Q16637 3/20 0.43
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
CCNT1 O60563 1/20 0.43
CDK1 P06493 1/20 0.43
CDK4 P11802 1/20 0.43
CCNB1 P14635 1/20 0.43
CCNA2 P20248 1/20 0.43
CCND1 P24385 1/20 0.43
CDK7 P50613 1/20 0.43
CDK9 P50750 1/20 0.43
CCNH P51946 1/20 0.43
MNAT1 P51948 1/20 0.43
CDK5R1 Q15078 1/20 0.43
MEN1 O00255 2/20 0.43

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
SCHEMBL5836333 0.87 ALDH1A1 (0.61) CDK2CCNE1CDK5STAT3ALDH1A1
SCHEMBL5835785 0.86 STAT3 (0.52) CDK2CCNE1CDK5STAT3ALDH1A1
SCHEMBL5836103 0.85 RAB9A (0.53) CDK2CCNE1CDK5STAT3ALDH1A1
SCHEMBL5836292 0.84 CCNE1 (0.62) CDK2CCNE1CDK5STAT3ALDH1A1
SCHEMBL5835414 0.84 CDK2 (0.57) CDK2CCNE1CDK5ALDH1A1SMN1; SMN2
SCHEMBL5835760 0.81 STAT3 (0.58) CDK2CCNE1CDK5STAT3ALDH1A1
SCHEMBL5835451 0.80 CCNE1 (0.57) CDK2CCNE1CDK5STAT3ALDH1A1
SCHEMBL5836737 0.80 KMT2A (0.61) CDK2CCNE1CDK5STAT3ALDH1A1
SCHEMBL5836064 0.78 MAPT (0.57) CDK2CCNE1CDK5ALDH1A1SMN1; SMN2
SCHEMBL5835797 0.77 HPGD (0.62) CDK2CCNE1CDK5STAT3ALDH1A1

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