SCHEMBL5751855

SCHEMBL5751855

CNC(=O)c1ccc(C2CC3C=C(c4c[nH]c(-c5ccc(F)cc5)c4-c4ccncc4)CCN3C2)cc1

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPK11 Q15759 3/20 0.58
MAPK14 Q16539 3/20 0.58
BRAF P15056 1/20 0.34
ALOX5 P09917 1/20 0.34
KCNH2 Q12809 1/20 0.34
RPS6KA3 P51812 1/20 0.33
MAPK13 O15264 1/20 0.33
MAPK12 P53778 1/20 0.33

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
SCHEMBL5650802 1.00 MAPK11 (0.58) MAPK11MAPK14BRAFALOX5KCNH2
SCHEMBL5666925 0.92 MAPK11 (0.57) MAPK11MAPK14
SCHEMBL5648626 0.92 MAPK11 (0.57) MAPK11MAPK14
SCHEMBL5667585 0.92 MAPK14 (0.55) MAPK11MAPK14MAPK13MAPK12
SCHEMBL5651554 0.92 MAPK14 (0.55) MAPK11MAPK14MAPK13MAPK12
SCHEMBL5646091 0.91 MAPK14 (0.56) MAPK11MAPK14ALOX5
SCHEMBL5665083 0.91 MAPK11 (0.58) MAPK11MAPK14ALOX5
SCHEMBL5650805 0.91 MAPK11 (0.58) MAPK11MAPK14ALOX5
SCHEMBL5651405 0.90 MAPK14 (0.61) MAPK11MAPK14ALOX5KCNH2MAPK13
SCHEMBL5665333 0.90 MAPK14 (0.54) MAPK11MAPK14

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
EP-1632488-A1 CYCLIC TERTIARY AMINE COMPOUND Sankyo Company, Limited (JP) 2006-03-08 EP claimed
EP-1632488-A1 CYCLIC TERTIARY AMINE COMPOUND Sankyo Company, Limited (JP) 2006-03-08 EP disclosed