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SCHEMBL16799520

SCHEMBL16799520

Cc1ccc(NC(=O)c2cccc(-n3cc(NC(=O)c4nc5cc(F)ccc5[nH]4)cn3)c2)cn1

nearest known ligand 0.72

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ MAPK10 P53779 19/20 0.72
▸ MAPK8 P45983 15/20 0.72
▸ MAPK9 P45984 4/20 0.50
▸ KCNQ3 O43525 1/20 0.46
▸ KCNQ2 O43526 1/20 0.46

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
SCHEMBL16799518 0.93 MAPK10 (0.70) MAPK10MAPK8MAPK9KCNQ3KCNQ2
SCHEMBL16799596 0.91 MAPK10 (0.62) MAPK10MAPK8MAPK9
SCHEMBL16799598 0.86 MAPK10 (0.62) MAPK10MAPK8MAPK9
SCHEMBL16802647 0.84 MAPK10 (1.00) MAPK10MAPK8MAPK9
SCHEMBL16802829 0.84 MAPK10 (1.00) MAPK10MAPK8MAPK9
SCHEMBL18163274 0.82 MAPK10 (0.60) MAPK10MAPK8MAPK9
SCHEMBL18148273 0.81 MAPK10 (0.85) MAPK10MAPK8MAPK9KCNQ3KCNQ2
SCHEMBL16802558 0.80 MAPK10 (0.65) MAPK10MAPK8MAPK9
SCHEMBL16802684 0.79 MAPK10 (1.00) MAPK10MAPK8MAPK9
SCHEMBL16802818 0.78 MAPK10 (0.85) MAPK10MAPK8MAPK9

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3076789-A1 NOVEL COMPOUNDS AS JNK KINASE INHIBITORS The Scripps Research Institute (US) 2016-10-12 — — EP disclosed
WO-2015084936-A1 NOVEL COMPOUNDS AS JNK KINASE INHIBITORS THE SCRIPPS RESEARCH INSTITUTE (US) 2015-06-11 — — WO disclosed