SCHEMBL7215445

SCHEMBL7215445

C[C@H](Nc1nccc(-c2cc(-c3ccccc3)nnc2-c2cccc(C(F)(F)F)c2)n1)c1ccccc1

nearest known ligand 0.82

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 17/20 0.82
MAPK13 O15264 15/20 0.82
MAPK12 P53778 15/20 0.82
MAPK11 Q15759 15/20 0.82
MAPK9 P45984 6/20 0.73
RAF1 P04049 3/20 0.60
CAMK2D Q13557 2/20 0.44
MAOB P27338 1/20 0.44

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
SCHEMBL7215450 1.00 MAPK14 (0.82) MAPK14MAPK13MAPK12MAPK11MAPK9
SCHEMBL7221086 0.92 MAPK14 (0.78) MAPK14MAPK13MAPK12MAPK11MAPK9
SCHEMBL7217289 0.92 MAPK14 (0.78) MAPK14MAPK13MAPK12MAPK11MAPK9
SCHEMBL7217284 0.92 MAPK14 (0.78) MAPK14MAPK13MAPK12MAPK11MAPK9
SCHEMBL7221081 0.92 MAPK14 (0.78) MAPK14MAPK13MAPK12MAPK11MAPK9
SCHEMBL7221255 0.89 MAPK14 (0.73) MAPK14MAPK13MAPK12MAPK11MAPK9
SCHEMBL7221239 0.89 MAPK14 (0.73) MAPK14MAPK13MAPK12MAPK11MAPK9
SCHEMBL7221963 0.88 MAPK14 (0.72) MAPK14MAPK13MAPK12MAPK11MAPK9
SCHEMBL7221960 0.88 MAPK14 (0.72) MAPK14MAPK13MAPK12MAPK11MAPK9
SCHEMBL7221967 0.88 MAPK14 (0.72) MAPK14MAPK13MAPK12MAPK11MAPK9

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
US-6602872-B1 Substituted pyridazines having cytokine inhibitory activity MERCK & CO., INC. 2003-08-05 US disclosed