SCHEMBL5836095

SCHEMBL5836095

CC(C)c1cnc(NC(=O)CCCc2ccc([N+](=O)[O-])cc2)s1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.55
KMT2A Q03164 6/20 0.55
ALDH1A1 P00352 5/20 0.54
CCNE1 P24864 4/20 0.54
CDK2 P24941 4/20 0.54
CDK5 Q00535 4/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
CCNT1 O60563 1/20 0.54
CDK1 P06493 1/20 0.54
CDK4 P11802 1/20 0.54
CCNB1 P14635 1/20 0.54
CCNA2 P20248 1/20 0.54
CCND1 P24385 1/20 0.54
CDK7 P50613 1/20 0.54
CDK9 P50750 1/20 0.54
CCNH P51946 1/20 0.54
MNAT1 P51948 1/20 0.54
CDK5R1 Q15078 1/20 0.54
NPC1 O15118 3/20 0.51
RAB9A P51151 3/20 0.51

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
SCHEMBL5836595 0.88 ALDH1A1 (0.70) MEN1KMT2AALDH1A1CCNE1CDK2
SCHEMBL5835404 0.84 CCNE1 (0.75) MEN1KMT2AALDH1A1CCNE1CDK2
SCHEMBL5836861 0.79 CCNE1 (0.68) MEN1KMT2ACCNE1CDK2CDK5
SCHEMBL5835846 0.79 ALDH1A1 (0.55) MEN1KMT2AALDH1A1CCNE1CDK2
SCHEMBL5835904 0.78 CDK2 (0.59) MEN1KMT2AALDH1A1CCNE1CDK2
SCHEMBL6287986 0.78 CDK2 (0.69) MEN1KMT2AALDH1A1CCNE1CDK2
SCHEMBL5836598 0.78 CCNE1 (0.77) MEN1KMT2AALDH1A1CCNE1CDK2
SCHEMBL5837403 0.77 ALDH1A1 (0.68) MEN1KMT2AALDH1A1CCNE1CDK2
SCHEMBL5836187 0.77 CDK2 (0.67) MEN1KMT2AALDH1A1CCNE1CDK2
SCHEMBL5835470 0.76 CCNE1 (0.57) MEN1KMT2AALDH1A1CCNE1CDK2

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