SCHEMBL5282254

SCHEMBL5282254

O=C1c2ccc(Nc3ccc(F)cc3F)cc2CN1c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 18/20 0.58
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48

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
SCHEMBL5283590 0.90 MAPK14 (0.60) MAPK14NPC1RAB9A
SCHEMBL25822372 0.81 MAPK14 (0.46) MAPK14
SCHEMBL5280862 0.81 MAPK14 (0.55) MAPK14
SCHEMBL5280548 0.81 MAPK14 (0.56) MAPK14
SCHEMBL5291340 0.81 MAPK14 (0.56) MAPK14NPC1RAB9A
SCHEMBL15712894 0.76 CYP11B2 (0.48) MAPK14NPC1RAB9A
SCHEMBL5280354 0.76 MAPK14 (0.57) MAPK14
SCHEMBL5285135 0.76 MAPK1 (0.50) MAPK14NPC1RAB9A
SCHEMBL3055917 0.76 NPC1 (0.47) MAPK14NPC1RAB9A
SCHEMBL26321765 0.75 MAPK14 (0.54) MAPK14NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007000337-A1 BICYCLIC DERIVATIVES AS P38 KINASE INHIBITORS PALAU PHARMA, S.A. (ES) 2007-01-04 WO claimed
WO-2007000337-A1 BICYCLIC DERIVATIVES AS P38 KINASE INHIBITORS PALAU PHARMA, S.A. (ES) 2007-01-04 WO disclosed