SCHEMBL5836019

SCHEMBL5836019

CC(C)c1cnc(NC(=O)Cc2cccc(OCCCN3CCOCC3)c2)s1

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GLS O94925 6/20 0.63
ROCK1 Q13464 3/20 0.62
EPHX2 P34913 7/20 0.59
CCNT1 O60563 1/20 0.55
ALDH1A1 P00352 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
CCNE1 P24864 1/20 0.55
CDK2 P24941 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
CDK5 Q00535 1/20 0.55
CDK5R1 Q15078 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55

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
SCHEMBL5835759 0.96 GLS (0.67) GLSROCK1EPHX2CCNT1ALDH1A1
SCHEMBL5841064 0.92 ROCK1 (0.60) GLSROCK1CCNT1ALDH1A1CDK1
SCHEMBL5837135 0.91 ROCK1 (0.62) GLSROCK1CCNT1ALDH1A1CDK1
SCHEMBL27549766 0.85 GLS (0.64) GLSROCK1EPHX2CCNE1CDK2
SCHEMBL6362799 0.84 CCNE1 (0.56) GLSROCK1EPHX2CCNT1ALDH1A1
SCHEMBL5835695 0.84 CCNE1 (0.65) GLSCCNT1ALDH1A1CDK1CDK4
SCHEMBL5835989 0.82 CCNE1 (0.65) GLSROCK1CCNT1ALDH1A1CDK1
SCHEMBL5836029 0.82 CCNE1 (0.65) GLSROCK1CCNT1ALDH1A1CDK1
SCHEMBL5835746 0.81 CCNE1 (0.62) GLSROCK1CCNT1ALDH1A1CDK1
SCHEMBL5835763 0.80 CCNE1 (0.63) GLSROCK1CCNT1ALDH1A1CDK1

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-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