SCHEMBL9959802

SCHEMBL9959802

NC(=O)c1ccnc(-c2ccccc2)c1Oc1ccccc1F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 1/20 0.45
CTNNB1 P35222 1/20 0.39
KDM5A P29375 1/20 0.39
KDM4C Q9H3R0 1/20 0.39
KDM5B Q9UGL1 1/20 0.39
CXCL8 P10145 1/20 0.39
GCK P35557 2/20 0.39
MAPT P10636 2/20 0.38
NPC1 O15118 2/20 0.38
HTT P42858 1/20 0.38
CDC7 O00311 2/20 0.37
MAP2K1 Q02750 1/20 0.37
CLK4 Q9HAZ1 1/20 0.37
DYRK1B Q9Y463 1/20 0.37
JAK2 O60674 1/20 0.37
BTK Q06187 1/20 0.36
MAPK8 P45983 1/20 0.36
MAPK10 P53779 1/20 0.36
RAB9A P51151 1/20 0.36
MEN1 O00255 1/20 0.36

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
SCHEMBL9959798 0.80 PARP10 (0.45) PARP10CTNNB1KDM5AKDM4CKDM5B
SCHEMBL792641 0.77 PARP10 (0.45) PARP10CXCL8GCKMAPTNPC1
SCHEMBL2116017 0.76 MKNK1 (0.45) MAPTNPC1CDC7MAP2K1CLK4
SCHEMBL30096560 0.75 IKBKB (0.46) CDC7MAP2K1CLK4DYRK1BJAK2
SCHEMBL792643 0.73 PARP10 (0.46) PARP10CTNNB1KDM5AKDM4CKDM5B
SCHEMBL14746537 0.72 PARP10 (0.45) PARP10CXCL8MAPTNPC1CDC7
SCHEMBL30693359 0.71 MAPK8 (0.57) PARP10MAPTNPC1HTTMAPK8
SCHEMBL5523941 0.71 MAPK8 (0.57) PARP10MAPTNPC1HTTMAPK8
SCHEMBL1758364 0.71 IKBKB (0.47) CDC7MAP2K1CLK4DYRK1BJAK2
SCHEMBL7201932 0.71 BCAT2 (0.46) CDC7MAP2K1CLK4DYRK1BJAK2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2655330-A1 SUBSTITUTED PYRIDINES AS SODIUM CHANNEL BLOCKERS Purdue Pharma LP (US) 2013-10-30 EP disclosed
WO-2012085650-A1 SUBSTITUTED PYRIDINES AS SODIUM CHANNEL BLOCKERS PURDUE PHARMA L.P. (US) 2012-06-28 WO disclosed