SCHEMBL5835396

SCHEMBL5835396

CC(C)c1cnc(NC(=O)c2cccc(F)c2)s1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNE1 P24864 6/20 0.72
CDK2 P24941 6/20 0.72
CDK5 Q00535 6/20 0.72
ALDH1A1 P00352 5/20 0.58
MEN1 O00255 3/20 0.58
KMT2A Q03164 3/20 0.58
TSHR P16473 2/20 0.58
GAA P10253 1/20 0.58
ALOX15 P16050 1/20 0.58
RAB9A P51151 3/20 0.52
KDR P35968 1/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
KCNQ3 O43525 2/20 0.51
KCNQ2 O43526 2/20 0.51
KCNQ5 Q9NR82 1/20 0.51
CCNT1 O60563 1/20 0.51
CDK1 P06493 1/20 0.51
CDK4 P11802 1/20 0.51
CCNB1 P14635 1/20 0.51
CCNA2 P20248 1/20 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
SCHEMBL5835446 0.87 CDK2 (0.67) CCNE1CDK2CDK5ALDH1A1KDR
SCHEMBL5835970 0.86 CCNE1 (0.74) CCNE1CDK2CDK5ALDH1A1MEN1
SCHEMBL5836056 0.85 CCNE1 (0.72) CCNE1CDK2CDK5ALDH1A1MEN1
SCHEMBL5835431 0.85 CCNE1 (0.72) CCNE1CDK2CDK5ALDH1A1MEN1
SCHEMBL5835428 0.85 CDK2 (0.72) CCNE1CDK2CDK5ALDH1A1MEN1
SCHEMBL5836744 0.84 CCNE1 (0.67) CCNE1CDK2CDK5TSHRGAA
SCHEMBL5835551 0.84 CDK2 (0.75) CCNE1CDK2CDK5ALDH1A1RAB9A
SCHEMBL5836102 0.84 CDK2 (1.00) CCNE1CDK2CDK5ALDH1A1MEN1
SCHEMBL5837029 0.84 CDK2 (0.66) CCNE1CDK2CDK5ALDH1A1MEN1
SCHEMBL5836282 0.83 CCNE1 (0.69) CCNE1CDK2CDK5ALDH1A1MEN1

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