SCHEMBL4245343

SCHEMBL4245343

COc1cccc(-c2cncc(C#N)c2O)c1OC

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PRKCQ Q04759 12/20 0.42
PRKCD Q05655 3/20 0.42
PGR P06401 1/20 0.41
AR P10275 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
GPBAR1 Q8TDU6 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
MAPT P10636 1/20 0.39
MGAM O43451 1/20 0.39
GAA P10253 1/20 0.39
SI P14410 1/20 0.39
MGAM2 Q2M2H8 1/20 0.39

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
SCHEMBL4190125 0.77 PRKCQ (0.65) PRKCQPRKCD
SCHEMBL4187943 0.76 PRKCQ (0.66) PRKCQPRKCD
SCHEMBL2985905 0.75 PRKCQ (0.64) PRKCQPRKCD
SCHEMBL4191870 0.75 SRC (0.58) PRKCQPRKCD
SCHEMBL4194236 0.75 PRKCQ (0.52) PRKCQPRKCD
SCHEMBL196440 0.73 MGAM (0.55) SMN1; SMN2HDAC4HDAC2HDAC8MAPT
SCHEMBL17954514 0.72 BCHE (0.41) PGRARSMN1; SMN2MAPTMGAM
SCHEMBL28434131 0.72 MAPT (0.43) PGRARSMN1; SMN2MAPTMGAM
SCHEMBL5481376 0.72 PRKCQ (0.45) PRKCQPRKCDSMN1; SMN2
SCHEMBL28450869 0.71 MAPT (0.40) PGRARMAPTMGAMGAA

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-2029543-A2 SUBSTITUTED 3-CYANOPYRIDINES AS PROTEIN KINASE INHIBITORS Wyeth (US) 2009-03-04 EP disclosed
WO-2007146376-A2 SUBSTITUTED 3-CYANOPYRIDINES AS PROTEIN KINASE INHIBITORS WYETH (US) 2007-12-21 WO disclosed