SCHEMBL5403432

SCHEMBL5403432

Cc1ccc(C(=O)NC2CC2)cc1NC(=O)c1ccc(OCCc2ccccn2)cc1

nearest known ligand 0.58

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 18/20 0.58
▸ SMO Q99835 16/20 0.58
▸ MAPK11 Q15759 2/20 0.57

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
SCHEMBL242583 0.92 MAPK14 (0.69) MAPK14SMO
Hydrochloric Acid SCHEMBL241989 0.91 MAPK14 (0.68) MAPK14SMO
Sulfuric Acid SCHEMBL242761 0.88 MAPK14 (0.65) MAPK14SMO
SCHEMBL240700 0.84 MAPK14 (0.62) MAPK14SMOMAPK11
SCHEMBL243749 0.84 MAPK14 (0.56) MAPK14SMOMAPK11
SCHEMBL243394 0.83 MAPK14 (0.58) MAPK14SMOMAPK11
SCHEMBL239706 0.83 MAPK14 (0.58) MAPK14SMOMAPK11
SCHEMBL5702786 0.82 SMO (0.58) MAPK14SMO
SCHEMBL242777 0.82 MAPK14 (0.58) MAPK14SMOMAPK11
SCHEMBL243666 0.82 MAPK14 (0.55) MAPK14SMOMAPK11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2007516979-A — — 2007-06-28 — — JP claimed
EP-1699766-A1 AMIDE DERIVATIVES BEARING A CYCLOPROPYLAMINOACARBONYL SUBSTITUENT USEFUL AS CYTOKINE INHIBITORS AstraZeneca AB (SE) 2006-09-13 — — EP claimed
WO-2005061465-A1 AMIDE DERIVATIVES BEARING A CYCLOPROPYLAMINOACARBONYL SUBSTITUENT USEFUL AS CYTO KINE INHIBITORS ASTRAZENECA AB (SE) 2005-07-07 — — WO claimed
Send feedback