SCHEMBL7215845

SCHEMBL7215845

CSc1nccc(-c2cc(N(C)C)nnc2-c2cccc(C(F)(F)F)c2)n1

nearest known ligand 0.63

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 15/20 0.63
MAPK11 Q15759 11/20 0.63
MAPK13 O15264 9/20 0.63
MAPK12 P53778 9/20 0.63
MAPK9 P45984 1/20 0.41
LMNA P02545 1/20 0.41
CSNK1D P48730 2/20 0.40
KMO O15229 1/20 0.39
ADORA2A P29274 1/20 0.38
ADORA1 P30542 1/20 0.38
MAOB P27338 1/20 0.37

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
SCHEMBL7222330 0.86 MAPK14 (0.52) MAPK14MAPK11MAPK13MAPK12MAPK9
SCHEMBL6999911 0.85 MAPK14 (0.47) MAPK14MAPK11MAPK13MAPK12MAPK9
SCHEMBL7215386 0.82 MAPK11 (0.61) MAPK14MAPK11MAPK13MAPK12MAPK9
SCHEMBL11467792 0.80 LMNA (0.58) MAPK14LMNAKMO
SCHEMBL7676136 0.79 MAPK14 (0.50) MAPK14MAPK11MAPK13MAPK12MAPK9
SCHEMBL7216283 0.79 MAPK14 (0.44) MAPK14MAPK11MAPK13MAPK12MAPK9
SCHEMBL7215859 0.78 MAPK13 (0.67) MAPK14MAPK11MAPK13MAPK12MAPK9
SCHEMBL7215839 0.77 MAPK14 (0.69) MAPK14MAPK11MAPK13MAPK12MAPK9
SCHEMBL1384875 0.77 MAPK14 (0.45) MAPK14MAPK11MAPK13MAPK12LMNA
SCHEMBL2929605 0.75 MAPK14 (0.41) MAPK14MAPK11MAPK13MAPK12MAPK9

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