SCHEMBL6170595

SCHEMBL6170595

CN(C)c1nccc(-c2[nH]c(C3CCNCC3)nc2-c2cccc(C(F)(F)F)c2)n1

nearest known ligand 0.77

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 14/20 0.77
MAPK13 O15264 12/20 0.77
MAPK12 P53778 12/20 0.77
MAPK11 Q15759 12/20 0.77
MAPK9 P45984 9/20 0.77
CSNK1A1 P48729 1/20 0.76
CSNK1D P48730 1/20 0.76
RPS6KA3 P51812 1/20 0.76
RAF1 P04049 6/20 0.67
MEN1 O00255 1/20 0.45
POLB P06746 1/20 0.45
KMT2A Q03164 1/20 0.45
BRAF P15056 1/20 0.44
KIT P10721 1/20 0.41
HTR2C P28335 1/20 0.41

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
SCHEMBL6173136 0.87 MAPK13 (1.00) MAPK14MAPK13MAPK12MAPK11MAPK9
SCHEMBL4936886 0.86 CSNK1A1 (1.00) MAPK14MAPK13MAPK12MAPK11MAPK9
SCHEMBL6171119 0.85 MAPK14 (0.73) MAPK14MAPK13MAPK12MAPK11MAPK9
SCHEMBL6174484 0.84 CSNK1A1 (0.82) MAPK14MAPK13MAPK12MAPK11MAPK9
SCHEMBL6170832 0.84 MAPK14 (0.74) MAPK14MAPK13MAPK12MAPK11MAPK9
SCHEMBL7561551 0.83 MAPK14 (0.71) MAPK14MAPK13MAPK12MAPK11MAPK9
SCHEMBL6170994 0.83 MAPK14 (0.76) MAPK14MAPK13MAPK12MAPK11MAPK9
SCHEMBL6183122 0.82 MAPK14 (0.72) MAPK14MAPK13MAPK12MAPK11MAPK9
SCHEMBL6172583 0.82 CSNK1A1 (0.79) MAPK14MAPK13MAPK12MAPK11MAPK9
SCHEMBL6173735 0.81 MAPK14 (0.81) 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
EP-0906307-B1 SUBSTITUTED IMIDAZOLES HAVING CYTOKINE INHIBITORY ACTIVITY MERCK & CO INC (US) 2005-04-27 EP disclosed