SCHEMBL5836029

SCHEMBL5836029

COCCOc1cccc(CC(=O)Nc2ncc(C(C)C)s2)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNE1 P24864 4/20 0.65
CDK2 P24941 4/20 0.65
CDK5 Q00535 4/20 0.65
ALDH1A1 P00352 2/20 0.65
SMN1; SMN2 Q16637 2/20 0.65
CCNT1 O60563 1/20 0.65
CDK1 P06493 1/20 0.65
CDK4 P11802 1/20 0.65
CCNB1 P14635 1/20 0.65
CCNA2 P20248 1/20 0.65
CCND1 P24385 1/20 0.65
CDK7 P50613 1/20 0.65
CDK9 P50750 1/20 0.65
CCNH P51946 1/20 0.65
MNAT1 P51948 1/20 0.65
CDK5R1 Q15078 1/20 0.65
GLS O94925 5/20 0.52
CSNK1D P48730 2/20 0.48
PRKACA P17612 2/20 0.47
ROCK1 Q13464 2/20 0.47

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
SCHEMBL5835695 0.90 CCNE1 (0.65) CCNE1CDK2CDK5ALDH1A1SMN1; SMN2
SCHEMBL5835989 0.90 CCNE1 (0.65) CCNE1CDK2CDK5ALDH1A1SMN1; SMN2
SCHEMBL5835984 0.89 ALDH1A1 (0.71) CCNE1CDK2CDK5ALDH1A1SMN1; SMN2
SCHEMBL5835763 0.88 CCNE1 (0.63) CCNE1CDK2CDK5ALDH1A1SMN1; SMN2
SCHEMBL5835746 0.87 CCNE1 (0.62) CCNE1CDK2CDK5ALDH1A1SMN1; SMN2
SCHEMBL5841064 0.84 ROCK1 (0.60) CCNE1CDK2CDK5ALDH1A1SMN1; SMN2
SCHEMBL5837135 0.83 ROCK1 (0.62) CCNE1CDK2CDK5ALDH1A1SMN1; SMN2
SCHEMBL5835759 0.82 GLS (0.67) CCNE1CDK2CDK5ALDH1A1SMN1; SMN2
SCHEMBL5836019 0.82 GLS (0.63) CCNE1CDK2CDK5ALDH1A1SMN1; SMN2
SCHEMBL5836011 0.82 CCNE1 (0.76) 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 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
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
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