SCHEMBL7645385

SCHEMBL7645385

CC(C)c1cnc(NC(=O)Cc2ccc(NC(=O)CCC(N)=O)cc2)s1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 13/20 0.66
CCNE1 P24864 12/20 0.66
CDK5 Q00535 12/20 0.66
ALDH1A1 P00352 2/20 0.66
SMN1; SMN2 Q16637 2/20 0.66
CCNT1 O60563 1/20 0.66
CDK1 P06493 1/20 0.66
CDK4 P11802 1/20 0.66
CCNB1 P14635 1/20 0.66
CCNA2 P20248 1/20 0.66
CCND1 P24385 1/20 0.66
CDK7 P50613 1/20 0.66
CDK9 P50750 1/20 0.66
CCNH P51946 1/20 0.66
MNAT1 P51948 1/20 0.66
CDK5R1 Q15078 1/20 0.66
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
GLA P06280 1/20 0.44
TSHR P16473 1/20 0.44

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
SCHEMBL5726471 0.89 CDK2 (0.72) CDK2CCNE1CDK5ALDH1A1SMN1; SMN2
SCHEMBL5726576 0.88 CDK2 (0.70) CDK2CCNE1CDK5ALDH1A1SMN1; SMN2
SCHEMBL5726464 0.86 CDK2 (0.72) CDK2CCNE1CDK5ALDH1A1SMN1; SMN2
SCHEMBL5476972 0.86 CDK2 (0.88) CDK2CCNE1CDK5ALDH1A1SMN1; SMN2
SCHEMBL5481114 0.86 CDK2 (0.67) CDK2CCNE1CDK5ALDH1A1SMN1; SMN2
SCHEMBL5480558 0.85 CDK2 (0.73) CDK2CCNE1CDK5ALDH1A1SMN1; SMN2
SCHEMBL5481693 0.83 CDK2 (0.67) CDK2CCNE1CDK5ALDH1A1SMN1; SMN2
SCHEMBL5484289 0.83 CDK2 (0.67) CDK2CCNE1CDK5ALDH1A1SMN1; SMN2
SCHEMBL5476983 0.83 CCNE1 (0.77) CDK2CCNE1CDK5ALDH1A1SMN1; SMN2
SCHEMBL27550567 0.83 CDK2 (0.77) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1204649-A1 ARYLMETHYL-CARBONYLAMINO-THIAZOLE DERIVATIVES AND THEIR USE AS ANTITUMOR AGENTS Pharmacia Italia S.p.A. (IT) 2002-05-15 EP claimed
WO-2001014353-A1 ARYLMETHYL-CARBONYLAMINO-THIAZOLE DERIVATIVES AND THEIR USE AS ANTITUMOR AGENTS PHARMACIA ITALIA, S.P.A. (IT) 2001-03-01 WO claimed
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