SCHEMBL7215964

SCHEMBL7215964

CC(Nc1nccc(-c2cc(N3CCC(NC(=O)OC(C)(C)C)CC3)nnc2-c2cccc(C(F)(F)F)c2)n1)c1ccccc1

nearest known ligand 0.75

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 16/20 0.75
MAPK13 O15264 15/20 0.75
MAPK12 P53778 15/20 0.75
MAPK11 Q15759 15/20 0.75
MAPK9 P45984 6/20 0.70
RAF1 P04049 3/20 0.49
CKS1B P61024 1/20 0.49
SKP1 P63208 1/20 0.49
SKP2 Q13309 1/20 0.49
SYK P43405 1/20 0.43
IDH1 O75874 2/20 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
SCHEMBL7215965 0.86 MAPK13 (0.55) MAPK14MAPK13MAPK12MAPK11MAPK9
Hydrochloric Acid SCHEMBL7221781 0.85 MAPK14 (0.86) MAPK14MAPK13MAPK12MAPK11MAPK9
Hydrochloric Acid SCHEMBL7215092 0.82 MAPK14 (0.98) MAPK14MAPK13MAPK12MAPK11MAPK9
SCHEMBL7215967 0.81 MAPK13 (0.49) MAPK14MAPK13MAPK12MAPK11MAPK9
SCHEMBL7215445 0.77 MAPK14 (0.82) MAPK14MAPK13MAPK12MAPK11MAPK9
SCHEMBL7215450 0.77 MAPK14 (0.82) MAPK14MAPK13MAPK12MAPK11MAPK9
SCHEMBL7221086 0.77 MAPK14 (0.78) MAPK14MAPK13MAPK12MAPK11MAPK9
SCHEMBL7221081 0.77 MAPK14 (0.78) MAPK14MAPK13MAPK12MAPK11MAPK9
SCHEMBL7217284 0.77 MAPK14 (0.78) MAPK14MAPK13MAPK12MAPK11MAPK9
SCHEMBL7217289 0.77 MAPK14 (0.78) 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-6602872-B1 Substituted pyridazines having cytokine inhibitory activity MERCK & CO., INC. 2003-08-05 US disclosed