SCHEMBL19910065

SCHEMBL19910065

N#Cc1ccnc(Nc2cc(C3CCOCC3)cc(N3CCOCC3)n2)c1

nearest known ligand 0.76

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAP3K12 Q12852 16/20 0.76
MAP3K13 O43283 1/20 0.60
MAPK8 P45983 1/20 0.60
MAPK9 P45984 1/20 0.60
MAPK10 P53779 1/20 0.60
MAP3K9 P80192 1/20 0.60
MAP3K10 Q02779 1/20 0.60
MAP3K11 Q16584 1/20 0.60
DLK1 P80370 1/20 0.56
DRG1 Q9Y295 1/20 0.56
IKBKE Q14164 4/20 0.49
TBK1 Q9UHD2 4/20 0.49

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
SCHEMBL19910090 0.90 MAP3K12 (0.88) MAP3K12MAP3K13MAPK8MAPK9MAPK10
SCHEMBL19910108 0.89 MAP3K12 (0.73) MAP3K12MAP3K13MAPK8MAPK9MAPK10
SCHEMBL16568301 0.89 MAP3K12 (0.73) MAP3K12MAP3K13MAPK8MAPK9MAPK10
SCHEMBL15602637 0.89 MAP3K12 (0.70) MAP3K12MAP3K13MAPK8MAPK9MAPK10
SCHEMBL19910078 0.88 MAP3K12 (0.69) MAP3K12MAP3K13MAPK8MAPK9MAPK10
SCHEMBL15602404 0.88 MAP3K12 (0.86) MAP3K12MAP3K13MAPK8MAPK9MAPK10
SCHEMBL15602459 0.87 MAP3K12 (0.73) MAP3K12MAP3K13MAPK8MAPK9MAPK10
SCHEMBL15602438 0.87 MAP3K12 (1.00) MAP3K12MAP3K13MAPK8MAPK9MAPK10
SCHEMBL15602605 0.86 MAP3K12 (0.78) MAP3K12MAP3K13MAPK8MAPK9MAPK10
SCHEMBL16573745 0.86 MAP3K12 (0.67) MAP3K12MAP3K13MAPK8MAPK9MAPK10

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-2852584-B1 SUBSTITUTED DIPYRIDYLAMINES AND USES THEREOF HOFFMANN LA ROCHE (CH) 2018-02-28 EP disclosed