SCHEMBL19495356

SCHEMBL19495356

O=C(Cc1cccc2ncccc12)Nc1[nH]cc(Br)c1-c1ccn[nH]1

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAPK9 P45984 16/20 0.55
MAPK10 P53779 14/20 0.55
MAPK8 P45983 13/20 0.55
MAPK1 P28482 1/20 0.47
GLS O94925 2/20 0.47
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL19495352 0.77 MAPK9 (0.69) MAPK9MAPK10MAPK8MAPK1GLS
SCHEMBL3783257 0.71 MAPK9 (1.00) MAPK9MAPK10MAPK8MAPK1
SCHEMBL3714663 0.67 MAPK9 (0.65) MAPK9MAPK10MAPK8MAPK1GLS
SCHEMBL3710279 0.65 MAPK9 (0.81) MAPK9MAPK10MAPK8MAPK1GLS
SCHEMBL3720399 0.64 KDM4E (0.59) MAPK9MAPK10MAPK8GLSALDH1A1
SCHEMBL3782088 0.64 MAPK9 (1.00) MAPK9MAPK10MAPK8MAPK1
SCHEMBL3776306 0.64 MAPK9 (1.00) MAPK9MAPK10MAPK8MAPK1
SCHEMBL3777866 0.64 MAPK10 (1.00) MAPK9MAPK10MAPK8MAPK1
SCHEMBL21484424 0.64 GLS (1.00) GLS
SCHEMBL3783847 0.63 GLS (0.49) MAPK9MAPK10MAPK8GLSALDH1A1

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-2393806-B1 INHIBITORS OF JUN N-TERMINAL KINASE ELAN PHARM INC (US) 2017-10-25 EP disclosed