SCHEMBL5835989

SCHEMBL5835989

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

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNE1 P24864 7/20 0.65
CDK2 P24941 7/20 0.65
CDK5 Q00535 7/20 0.65
ALDH1A1 P00352 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
SMN1; SMN2 Q16637 1/20 0.65
GLS O94925 3/20 0.50
PSEN1 P49768 1/20 0.46
PSEN2 P49810 1/20 0.46
APH1B Q8WW43 1/20 0.46

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 0.96 CCNE1 (0.65) CCNE1CDK2CDK5ALDH1A1CCNT1
SCHEMBL5836029 0.90 CCNE1 (0.65) CCNE1CDK2CDK5ALDH1A1CCNT1
SCHEMBL5835763 0.88 CCNE1 (0.63) CCNE1CDK2CDK5ALDH1A1CCNT1
SCHEMBL5835984 0.87 ALDH1A1 (0.71) CCNE1CDK2CDK5ALDH1A1CCNT1
SCHEMBL5835746 0.87 CCNE1 (0.62) CCNE1CDK2CDK5ALDH1A1CCNT1
SCHEMBL5841064 0.84 ROCK1 (0.60) CCNE1CDK2CDK5ALDH1A1CCNT1
SCHEMBL5837135 0.83 ROCK1 (0.62) CCNE1CDK2CDK5ALDH1A1CCNT1
SCHEMBL5835575 0.83 CCNE1 (0.74) CCNE1CDK2CDK5ALDH1A1CCNT1
SCHEMBL5835759 0.82 GLS (0.67) CCNE1CDK2CDK5ALDH1A1CCNT1
SCHEMBL28748029 0.82 CDK2 (0.61) CCNE1CDK2CDK5CCNA2CDK5R1

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 7 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
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