SCHEMBL19686046

SCHEMBL19686046

Clc1cccc(Nc2nc3cnc(NC4CCOCC4)nc3n2C2CCCCC2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK9 P45984 19/20 0.58
MAPK8 P45983 18/20 0.58
MAPK10 P53779 17/20 0.58
MAPK14 Q16539 15/20 0.58
EGFR P00533 2/20 0.50
JAK2 O60674 1/20 0.50
ERBB2 P04626 1/20 0.50
MET P08581 1/20 0.50
KIT P10721 1/20 0.50
SRC P12931 1/20 0.50
PRKCA P17252 1/20 0.50
JAK1 P23458 1/20 0.50
TYK2 P29597 1/20 0.50
KDR P35968 1/20 0.50
JAK3 P52333 1/20 0.50
PRKCQ Q04759 1/20 0.50
KARS1 Q15046 1/20 0.50
ERBB4 Q15303 1/20 0.50
PKN1 Q16512 1/20 0.50
MKNK1 Q9BUB5 1/20 0.50

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
SCHEMBL20515903 0.91 MAPK9 (0.51) MAPK9MAPK8MAPK10MAPK14EGFR
SCHEMBL19666493 0.89 MAPK9 (0.49) MAPK9MAPK8MAPK10MAPK14EGFR
SCHEMBL19666450 0.89 MAPK8 (0.51) MAPK9MAPK8MAPK10MAPK14EGFR
SCHEMBL19666447 0.89 MAPK8 (0.51) MAPK9MAPK8MAPK10MAPK14EGFR
SCHEMBL19666449 0.89 MAPK8 (0.51) MAPK9MAPK8MAPK10MAPK14EGFR
SCHEMBL19666494 0.89 MAPK9 (0.49) MAPK9MAPK8MAPK10MAPK14EGFR
SCHEMBL19666601 0.89 MAPK9 (0.49) MAPK9MAPK8MAPK10MAPK14EGFR
SCHEMBL29717691 0.89 MAPK8 (0.51) MAPK9MAPK8MAPK10MAPK14EGFR
SCHEMBL17649073 0.88 MAPK8 (0.49) MAPK9MAPK8MAPK10MAPK14EGFR
SCHEMBL17662985 0.88 MAPK8 (0.49) MAPK9MAPK8MAPK10MAPK14EGFR

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
WO-2017210408-A1 ANIMAL AND HUMAN ANTI-TRYPANOSOMONAL AND ANTI-LEISHMANIA AGENTS CELGENE CORPORATION (US) 2017-12-07 WO disclosed