SCHEMBL5835758

SCHEMBL5835758

COc1cc(CC(=O)Nc2ncc(C(C)C)s2)cc(OC)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNE1 P24864 6/20 0.66
CDK2 P24941 6/20 0.66
CDK5 Q00535 6/20 0.66
SMN1; SMN2 Q16637 2/20 0.66
ALDH1A1 P00352 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
GLS O94925 2/20 0.56
PSEN1 P49768 4/20 0.55
PSEN2 P49810 4/20 0.55
APH1B Q8WW43 4/20 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
SCHEMBL5835984 0.89 ALDH1A1 (0.71) CCNE1CDK2CDK5SMN1; SMN2ALDH1A1
SCHEMBL5835602 0.88 CDK5 (0.73) CCNE1CDK2CDK5SMN1; SMN2ALDH1A1
SCHEMBL5835667 0.86 SMN1; SMN2 (0.73) CCNE1CDK2CDK5SMN1; SMN2ALDH1A1
SCHEMBL6285587 0.83 ATG4B (0.53) CCNE1CDK2CDK5SMN1; SMN2ALDH1A1
SCHEMBL5836275 0.82 PSEN1 (0.72) CCNE1CDK2CDK5SMN1; SMN2ALDH1A1
SCHEMBL5836044 0.82 LMNA (0.67) CCNE1CDK2CDK5SMN1; SMN2ALDH1A1
SCHEMBL5835951 0.81 CCNE1 (0.64) CCNE1CDK2CDK5SMN1; SMN2ALDH1A1
SCHEMBL5835765 0.81 GLS (0.60) CCNE1CDK2CDK5SMN1; SMN2ALDH1A1
SCHEMBL5835475 0.81 SMN1; SMN2 (0.63) CCNE1CDK2CDK5SMN1; SMN2ALDH1A1
SCHEMBL5836029 0.80 CCNE1 (0.65) 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