SCHEMBL5484166

SCHEMBL5484166

CC(C)c1cnc(NC(=O)Cc2csc(NC(=O)CNC(=O)OC(C)(C)C)n2)s1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNE1 P24864 4/20 0.47
CDK2 P24941 4/20 0.47
CDK5 Q00535 4/20 0.47
ALDH1A1 P00352 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
CCNT1 O60563 1/20 0.47
CDK1 P06493 1/20 0.47
CDK4 P11802 1/20 0.47
CCNB1 P14635 1/20 0.47
CCNA2 P20248 1/20 0.47
CCND1 P24385 1/20 0.47
CDK7 P50613 1/20 0.47
CDK9 P50750 1/20 0.47
CCNH P51946 1/20 0.47
MNAT1 P51948 1/20 0.47
CDK5R1 Q15078 1/20 0.47
CCNK O75909 2/20 0.42
DDB1 Q16531 2/20 0.42
CDK12 Q9NYV4 2/20 0.42
HPGD P15428 1/20 0.42

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
SCHEMBL5481490 0.92 CCNE1 (0.51) CCNE1CDK2CDK5ALDH1A1SMN1; SMN2
SCHEMBL5490522 0.91 CCNE1 (0.46) CCNE1CDK2CDK5ALDH1A1SMN1; SMN2
SCHEMBL5487988 0.89 CCNE1 (0.45) CCNE1CDK2CDK5ALDH1A1SMN1; SMN2
SCHEMBL5836326 0.88 CDK2 (0.53) CCNE1CDK2CDK5ALDH1A1SMN1; SMN2
SCHEMBL5483023 0.83 CCNE1 (0.54) CCNE1CDK2CDK5ALDH1A1SMN1; SMN2
SCHEMBL6434814 0.82 CCNE1 (0.43) CCNE1CDK2CDK5ALDH1A1SMN1; SMN2
SCHEMBL5726360 0.82 CDK2 (0.59) CCNE1CDK2CDK5ALDH1A1SMN1; SMN2
SCHEMBL5484301 0.82 CDK2 (0.57) CCNE1CDK2CDK5ALDH1A1SMN1; SMN2
SCHEMBL5481901 0.82 CCNE1 (0.57) CCNE1CDK2CDK5ALDH1A1SMN1; SMN2
SCHEMBL5484280 0.81 CCNE1 (0.54) CCNE1CDK2CDK5ALDH1A1SMN1; 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1204649-B1 ARYLMETHYL-CARBONYLAMINO-THIAZOLE DERIVATIVES AND THEIR USE AS ANTITUMOR AGENTS PFIZER ITALIA SRL (IT) 2007-10-17 EP disclosed
US-6784198-B1 2-(ARYLMETHYL-CARBONYLAMINO)-1,3-THIAZOLE DERIVATIVES; CDK/CYCLIN KINASE INHIBITORY ACTIVITY PHARMACIA ITALIA S.P.A. (IT) 2004-08-31 US disclosed
EP-1204649-A1 ARYLMETHYL-CARBONYLAMINO-THIAZOLE DERIVATIVES AND THEIR USE AS ANTITUMOR AGENTS Pharmacia Italia S.p.A. (IT) 2002-05-15 EP disclosed
WO-2001014353-A1 ARYLMETHYL-CARBONYLAMINO-THIAZOLE DERIVATIVES AND THEIR USE AS ANTITUMOR AGENTS PHARMACIA ITALIA, S.P.A. (IT) 2001-03-01 WO disclosed
US-6114365-A Arylmethyl-carbonylamino-thiazole derivatives, process for their preparation, and their use as antitumor agents PHARMACIA & UPJOHN S.P.A. (IT) 2000-09-05 US disclosed