SCHEMBL5836033

SCHEMBL5836033

COC(=O)c1ccccc1C(=O)Nc1ncc(C(C)C)s1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 7/20 0.66
CCNE1 P24864 6/20 0.66
CDK5 Q00535 6/20 0.66
ALDH1A1 P00352 4/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
CCNT1 O60563 1/20 0.55
CDK1 P06493 1/20 0.55
CDK4 P11802 1/20 0.55
CCNB1 P14635 1/20 0.55
CCNA2 P20248 1/20 0.55
CCND1 P24385 1/20 0.55
CDK7 P50613 1/20 0.55
CDK9 P50750 1/20 0.55
CCNH P51946 1/20 0.55
MNAT1 P51948 1/20 0.55
CDK5R1 Q15078 1/20 0.55
DDX3X O00571 2/20 0.51
FDPS P14324 1/20 0.46
USP2 O75604 1/20 0.45
NPC1 O15118 3/20 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
SCHEMBL6177659 0.87 CDK2 (0.73) CDK2CCNE1CDK5ALDH1A1SMN1; SMN2
SCHEMBL5835976 0.86 CCNE1 (0.64) CDK2CCNE1CDK5ALDH1A1SMN1; SMN2
SCHEMBL5836180 0.84 CDK2 (0.69) CDK2CCNE1CDK5ALDH1A1SMN1; SMN2
SCHEMBL5835388 0.83 CDK2 (0.67) CDK2CCNE1CDK5ALDH1A1SMN1; SMN2
SCHEMBL5836136 0.83 CCNE1 (0.67) CDK2CCNE1CDK5ALDH1A1SMN1; SMN2
SCHEMBL5835664 0.83 CDK2 (0.67) CDK2CCNE1CDK5ALDH1A1SMN1; SMN2
SCHEMBL5835988 0.83 CDK2 (0.67) CDK2CCNE1CDK5ALDH1A1SMN1; SMN2
SCHEMBL2370331 0.83 DDX3X (0.54) CDK2CCNE1CDK5ALDH1A1SMN1; SMN2
SCHEMBL5835764 0.82 CDK2 (0.66) CDK2CCNE1CDK5ALDH1A1SMN1; SMN2
SCHEMBL5835456 0.82 CDK2 (0.73) CDK2CCNE1CDK5ALDH1A1SMN1; SMN2

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 6 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
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