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Sugi Predict / Compounds / SCHEMBL7997413

SCHEMBL7997413

SCHEMBL7997413

CC(Nc1cc(-c2c(-c3cccc(C(F)(F)F)c3)nc(CN3CCOCC3)n2C)ccn1)c1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 19/20 0.63
▸ MAPK13 O15264 11/20 0.63
▸ MAPK12 P53778 11/20 0.63
▸ MAPK11 Q15759 11/20 0.63
▸ MAPK9 P45984 4/20 0.63
▸ RAF1 P04049 1/20 0.63
▸ TRPV4 Q9HBA0 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
SCHEMBL7991937 0.86 MAPK14 (0.67) MAPK14MAPK13MAPK12MAPK11MAPK9
SCHEMBL7990822 0.85 MAPK14 (0.65) MAPK14MAPK13MAPK12MAPK11MAPK9
SCHEMBL6950332 0.85 MAPK14 (0.65) MAPK14MAPK13MAPK12MAPK11MAPK9
SCHEMBL7993953 0.83 MAPK14 (0.64) MAPK14MAPK13MAPK12MAPK11MAPK9
SCHEMBL7979937 0.83 MAPK14 (0.64) MAPK14MAPK13MAPK12MAPK11MAPK9
SCHEMBL7994418 0.83 MAPK14 (0.70) MAPK14MAPK13MAPK12MAPK11MAPK9
SCHEMBL7994015 0.83 MAPK14 (0.63) MAPK14MAPK13MAPK12MAPK11MAPK9
SCHEMBL7994010 0.83 MAPK14 (0.63) MAPK14MAPK13MAPK12MAPK11MAPK9
SCHEMBL7991981 0.82 MAPK14 (0.62) MAPK14MAPK13MAPK12MAPK11MAPK9
SCHEMBL8602979 0.81 MAPK14 (0.71) 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