SCHEMBL2925962

SCHEMBL2925962

Cc1ccc(C(=O)NCCCC#N)cc1NC(=O)c1ccc(OCc2cccc(NCCN(C)C)n2)cc1

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 15/20 0.46
SMO Q99835 15/20 0.46
ALOX5 P09917 1/20 0.41
CACNA1H O95180 1/20 0.40
CACNA1B Q00975 1/20 0.40

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
SCHEMBL2925961 0.87 MAPK14 (0.46) MAPK14SMO
SCHEMBL243560 0.84 MAPK14 (0.49) MAPK14SMO
SCHEMBL243469 0.75 MAPK14 (0.50) MAPK14SMO
Bromide SCHEMBL2928112 0.74 MAPK14 (0.52) MAPK14SMO
SCHEMBL243467 0.73 MAPK14 (0.50) MAPK14SMO
SCHEMBL2901891 0.71 CHRNB2 (0.39) MAPK14SMOALOX5CACNA1HCACNA1B
SCHEMBL241948 0.69 MAPK14 (0.53) MAPK14SMO
SCHEMBL245085 0.69 MAPK14 (0.52) MAPK14SMO
SCHEMBL242756 0.68 MAPK14 (0.52) MAPK14SMO
SCHEMBL244168 0.68 MAPK14 (0.52) MAPK14SMO

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1699766-B1 AMIDE DERIVATIVES BEARING A CYCLOPROPYLAMINOACARBONYL SUBSTITUENT USEFUL AS CYTOKINE INHIBITORS ASTRAZENECA AB (SE) 2010-08-11 EP disclosed