SCHEMBL19685580

SCHEMBL19685580

CC1(Nc2ncc3nc(Nc4cccc(Cl)c4)n(C4CCCCC4)c3n2)CCOCC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK9 P45984 16/20 0.50
MAPK14 Q16539 12/20 0.50
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
MKNK2 Q9HBH9 1/20 0.50
ALK Q9UM73 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
SCHEMBL19685997 0.94 MAPK9 (0.52) MAPK9MAPK14EGFRJAK2ERBB2
SCHEMBL29717613 0.92 MAPK9 (0.46) MAPK9MAPK14EGFRJAK2ERBB2
SCHEMBL19666393 0.92 MAPK9 (0.46) MAPK9MAPK14EGFRJAK2ERBB2
SCHEMBL19666394 0.92 MAPK9 (0.46) MAPK9MAPK14EGFRJAK2ERBB2
SCHEMBL19666391 0.92 MAPK9 (0.46) MAPK9MAPK14EGFRJAK2ERBB2
SCHEMBL19685584 0.90 MAPK9 (0.44) MAPK9MAPK14EGFRJAK2ERBB2
SCHEMBL19666335 0.90 MAPK9 (0.44) MAPK9MAPK14EGFRJAK2ERBB2
SCHEMBL19666571 0.90 EGFR (0.44) MAPK9MAPK14EGFRJAK2ERBB2
SCHEMBL19666338 0.90 MAPK9 (0.44) MAPK9MAPK14EGFRJAK2ERBB2
SCHEMBL19666330 0.90 EGFR (0.44) MAPK9MAPK14EGFRJAK2ERBB2

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