SCHEMBL5836259

SCHEMBL5836259

COc1cc(CC(=O)Nc2ncc(C(C)C)s2)ccc1OCc1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNE1 P24864 5/20 0.68
CDK2 P24941 5/20 0.68
CDK5 Q00535 5/20 0.68
SMN1; SMN2 Q16637 3/20 0.68
ALDH1A1 P00352 2/20 0.68
CCNT1 O60563 1/20 0.68
CDK1 P06493 1/20 0.68
CDK4 P11802 1/20 0.68
CCNB1 P14635 1/20 0.68
CCNA2 P20248 1/20 0.68
CCND1 P24385 1/20 0.68
CDK7 P50613 1/20 0.68
CDK9 P50750 1/20 0.68
CCNH P51946 1/20 0.68
MNAT1 P51948 1/20 0.68
CDK5R1 Q15078 1/20 0.68
LMNA P02545 3/20 0.56
MAPT P10636 1/20 0.56
CASP7 P55210 1/20 0.56
CASP6 P55212 1/20 0.56

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
SCHEMBL5836044 0.90 LMNA (0.67) CCNE1CDK2CDK5SMN1; SMN2ALDH1A1
SCHEMBL5835475 0.84 SMN1; SMN2 (0.63) CCNE1CDK2CDK5SMN1; SMN2ALDH1A1
SCHEMBL5835509 0.83 SMN1; SMN2 (0.61) CCNE1CDK2CDK5SMN1; SMN2ALDH1A1
SCHEMBL1535301 0.82 CCNE1 (1.00) CCNE1CDK2CDK5SMN1; SMN2ALDH1A1
SCHEMBL5835984 0.81 ALDH1A1 (0.71) CCNE1CDK2CDK5SMN1; SMN2ALDH1A1
SCHEMBL5835667 0.80 SMN1; SMN2 (0.73) CCNE1CDK2CDK5SMN1; SMN2ALDH1A1
SCHEMBL5836011 0.79 CCNE1 (0.76) CCNE1CDK2CDK5SMN1; SMN2ALDH1A1
SCHEMBL5836006 0.79 CCNE1 (0.76) CCNE1CDK2CDK5SMN1; SMN2ALDH1A1
SCHEMBL5476972 0.79 CDK2 (0.88) CCNE1CDK2CDK5SMN1; SMN2ALDH1A1
SCHEMBL5835512 0.78 CCNE1 (0.67) CCNE1CDK2CDK5SMN1; SMN2ALDH1A1

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
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