SCHEMBL5836056

SCHEMBL5836056

CC(C)c1cnc(NC(=O)c2cccc(Cl)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
STAT3 P40763 1/20 0.62
GCK P35557 1/20 0.54
GRM5 P41594 1/20 0.54
KCNQ3 O43525 2/20 0.53
KCNQ2 O43526 2/20 0.53
KCNE1 P15382 2/20 0.53
KCNQ1 P51787 2/20 0.53
KCNQ5 Q9NR82 1/20 0.53
ALDH1A1 P00352 2/20 0.52
NPC1 O15118 1/20 0.52
KDR P35968 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
CCND1 P24385 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
SCHEMBL5835385 0.87 CDK2 (0.67) CCNE1CDK2CDK5STAT3ALDH1A1
SCHEMBL5835970 0.86 CCNE1 (0.74) CCNE1CDK2CDK5ALDH1A1NPC1
SCHEMBL5835431 0.85 CCNE1 (0.72) CCNE1CDK2CDK5GRM5ALDH1A1
SCHEMBL5835428 0.85 CDK2 (0.72) CCNE1CDK2CDK5STAT3GRM5
SCHEMBL5835396 0.85 CCNE1 (0.72) CCNE1CDK2CDK5KCNQ3KCNQ2
SCHEMBL5835708 0.84 CDK2 (0.75) CCNE1CDK2CDK5STAT3ALDH1A1
SCHEMBL5836102 0.84 CDK2 (1.00) CCNE1CDK2CDK5ALDH1A1NPC1
SCHEMBL5836194 0.84 CDK2 (0.66) CCNE1CDK2CDK5STAT3KCNQ3
SCHEMBL5836282 0.83 CCNE1 (0.69) CCNE1CDK2CDK5KCNQ3KCNQ2
SCHEMBL5835918 0.83 CCNE1 (0.69) CCNE1CDK2CDK5ALDH1A1NPC1

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