SCHEMBL7979995

SCHEMBL7979995

C[C@H](Nc1cc(-c2c(-c3cccc(C(F)(F)F)c3)nc([C@@H](C)N)n2C)ccn1)c1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 19/20 0.68
MAPK13 O15264 12/20 0.68
MAPK12 P53778 12/20 0.68
MAPK11 Q15759 12/20 0.68
MAPK9 P45984 4/20 0.68
RAF1 P04049 1/20 0.68
ATP1A1 P05023 1/20 0.46
ATP1B1 P05026 1/20 0.46
ATP1A3 P13637 1/20 0.46
ATP1B2 P14415 1/20 0.46
ATP1A2 P50993 1/20 0.46
ATP1B3 P54709 1/20 0.46
FXYD2 P54710 1/20 0.46
ATP1A4 Q13733 1/20 0.46

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
SCHEMBL7991937 0.87 MAPK14 (0.67) MAPK14MAPK13MAPK12MAPK11MAPK9
SCHEMBL7750462 0.86 MAPK14 (0.71) MAPK14MAPK13MAPK12MAPK11MAPK9
SCHEMBL8602979 0.86 MAPK14 (0.71) MAPK14MAPK13MAPK12MAPK11MAPK9
SCHEMBL7750467 0.86 MAPK14 (0.71) MAPK14MAPK13MAPK12MAPK11MAPK9
SCHEMBL6950332 0.85 MAPK14 (0.65) MAPK14MAPK13MAPK12MAPK11MAPK9
SCHEMBL15946565 0.84 MAPK14 (0.85) MAPK14MAPK13MAPK12MAPK11MAPK9
SCHEMBL7979937 0.84 MAPK14 (0.64) MAPK14MAPK13MAPK12MAPK11MAPK9
SCHEMBL7990822 0.84 MAPK14 (0.65) MAPK14MAPK13MAPK12MAPK11MAPK9
SCHEMBL8002384 0.83 MAPK14 (0.79) MAPK14MAPK13MAPK12MAPK11MAPK9
SCHEMBL7993953 0.82 MAPK14 (0.64) 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-6291457-B1 SUBSTITUTED IMIDAZOLE COMPOUNDS MERCK & CO., INC. 2001-09-18 US disclosed