SCHEMBL5835807

SCHEMBL5835807

CCCOc1ccc(C(=O)Nc2ncc(C(C)C)s2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNE1 P24864 5/20 0.65
CDK2 P24941 5/20 0.65
CDK5 Q00535 5/20 0.65
CHRNB2 P17787 4/20 0.54
CHRNA4 P43681 4/20 0.54
CHRNB4 P30926 3/20 0.54
CHRNA3 P32297 3/20 0.54
RAB9A P51151 3/20 0.53
ALDH1A1 P00352 3/20 0.53
NPC1 O15118 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
LMNA P02545 1/20 0.53
NFKB1 P19838 1/20 0.53
CASP3 P42574 1/20 0.53
NFKB2 Q00653 1/20 0.53
RELA Q04206 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
SENP8 Q96LD8 1/20 0.53
SENP7 Q9BQF6 1/20 0.53
SENP6 Q9GZR1 1/20 0.53

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
SCHEMBL5836176 0.95 CCNE1 (0.65) CCNE1CDK2CDK5CHRNB2CHRNA4
SCHEMBL5836073 0.90 CCNE1 (0.68) CCNE1CDK2CDK5RAB9AALDH1A1
SCHEMBL5835991 0.85 CCNE1 (0.71) CCNE1CDK2CDK5RAB9ANPC1
SCHEMBL5835583 0.84 CCNE1 (0.70) CCNE1CDK2CDK5RAB9AALDH1A1
SCHEMBL5835407 0.83 CCNE1 (0.72) CCNE1CDK2CDK5RAB9AALDH1A1
SCHEMBL5836464 0.82 CCNE1 (0.79) CCNE1CDK2CDK5RAB9AALDH1A1
SCHEMBL5835793 0.82 CDK2 (0.67) CCNE1CDK2CDK5RAB9AALDH1A1
SCHEMBL5835456 0.81 CDK2 (0.73) CCNE1CDK2CDK5RAB9AALDH1A1
SCHEMBL5835808 0.81 CCNE1 (0.65) CCNE1CDK2CDK5ALDH1A1SMN1; SMN2
SCHEMBL5835438 0.81 CCNE1 (0.65) CCNE1CDK2CDK5RAB9AALDH1A1

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 8 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
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