SCHEMBL12801564

SCHEMBL12801564

Nc1cc(-c2ccnc(Nc3ccc(N4CCOCC4)cc3)n2)ccc1OCc1cccnc1

nearest known ligand 0.63

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 15/20 0.63
▸ JAK3 P52333 3/20 0.56
▸ MAPK8 P45983 2/20 0.55
▸ MAPK10 P53779 2/20 0.55
▸ MYLK4 Q86YV6 2/20 0.53
▸ STK17A Q9UEE5 2/20 0.53
▸ ACVR1 Q04771 1/20 0.51

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
SCHEMBL12801110 0.92 JAK2 (0.66) JAK2JAK3MAPK8MAPK10MYLK4
SCHEMBL12275902 0.88 JAK2 (0.59) JAK2JAK3MAPK8MAPK10MYLK4
SCHEMBL12800904 0.86 JAK2 (0.70) JAK2JAK3MYLK4STK17A
SCHEMBL12801271 0.85 JAK2 (0.61) JAK2JAK3MAPK8MAPK10MYLK4
SCHEMBL12801615 0.84 JAK2 (0.69) JAK2JAK3MYLK4STK17A
SCHEMBL12801572 0.84 JAK2 (0.69) JAK2JAK3MYLK4STK17A
SCHEMBL12801653 0.83 JAK2 (0.85) JAK2JAK3MAPK8MAPK10MYLK4
SCHEMBL12800919 0.83 JAK2 (0.67) JAK2JAK3
SCHEMBL12801611 0.83 JAK2 (0.70) JAK2JAK3MAPK8MAPK10MYLK4
SCHEMBL12801337 0.82 JAK2 (0.69) JAK2JAK3

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-2011046970-A1 AMINO - PYRIMIDINE COMPOUNDS AS INHIBITORS OF TBKL AND/OR IKK EPSILON MYREXIS, INC. (US) 2011-04-21 — — WO disclosed
Send feedback