SCHEMBL7748833

SCHEMBL7748833

C[C@@H](Nc1cc(-c2[nH]c(N3CCNCC3)nc2-c2cccc(C(F)(F)F)c2)ccn1)c1ccccc1

nearest known ligand 0.70

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 19/20 0.70
MAPK13 O15264 13/20 0.62
MAPK12 P53778 13/20 0.62
MAPK11 Q15759 13/20 0.62
MAPK9 P45984 5/20 0.62
RAF1 P04049 3/20 0.62

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
SCHEMBL7748832 1.00 MAPK14 (0.70) MAPK14MAPK13MAPK12MAPK11MAPK9
SCHEMBL7743195 0.93 MAPK14 (0.71) MAPK14MAPK13MAPK12MAPK11MAPK9
SCHEMBL7743194 0.93 MAPK14 (0.71) MAPK14MAPK13MAPK12MAPK11MAPK9
SCHEMBL8002384 0.84 MAPK14 (0.79) MAPK14MAPK13MAPK12MAPK11MAPK9
SCHEMBL7747157 0.83 MAPK14 (0.58) MAPK14MAPK13MAPK12MAPK11MAPK9
SCHEMBL7747154 0.83 MAPK14 (0.58) MAPK14MAPK13MAPK12MAPK11MAPK9
SCHEMBL7747250 0.83 MAPK14 (0.76) MAPK14MAPK13MAPK12MAPK11MAPK9
SCHEMBL7743202 0.82 MAPK14 (0.60) MAPK14MAPK13MAPK12MAPK11MAPK9
SCHEMBL5786346 0.79 MAPK14 (0.59) MAPK14MAPK13MAPK12MAPK11MAPK9
SCHEMBL5786349 0.79 MAPK14 (0.59) 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
WO-2001022965-A1 SUBSTITUTED IMIDAZOLES HAVING CYTOKINE INHIBITORY ACTIVITY MERCK & CO., INC. (US) 2001-04-05 WO disclosed