SCHEMBL380784

SCHEMBL380784

Cc1cccc(Cl)c1-c1nnc2cc(-c3cc(C(=O)NC4CC4)cc(F)c3C)ccn12

nearest known ligand 0.80

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 18/20 0.80
MAPK14 Q16539 2/20 0.68
CYP3A4 P08684 1/20 0.59

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
SCHEMBL379880 0.96 MAPK13 (0.84) MAPK13MAPK14CYP3A4
SCHEMBL380115 0.94 MAPK13 (0.81) MAPK13MAPK14CYP3A4
SCHEMBL379879 0.92 MAPK14 (0.76) MAPK13MAPK14
SCHEMBL379890 0.90 MAPK14 (0.80) MAPK13MAPK14
SCHEMBL379825 0.89 MAPK13 (1.00) MAPK13MAPK14
SCHEMBL379930 0.88 MAPK13 (0.80) MAPK13MAPK14
SCHEMBL380485 0.87 MAPK13 (0.84) MAPK13MAPK14
SCHEMBL380777 0.86 MAPK14 (0.88) MAPK13MAPK14CYP3A4
SCHEMBL3614569 0.85 MAPK13 (0.80) MAPK13MAPK14
SCHEMBL380640 0.84 MAPK13 (0.83) MAPK13MAPK14

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-2086973-B1 IMIDAZO- AND TRIAZOLO-PYRIDINE COMPOUNDS AND METHODS OF USE THEROF AMGEN INC (US) 2012-01-25 EP disclosed