SCHEMBL4247140

SCHEMBL4247140

COc1cccc(-c2cncc(C#N)c2Nc2ccc3[nH]ncc3c2)c1OC

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PRKCQ Q04759 18/20 0.57
PRKCD Q05655 4/20 0.57
PRKCH P24723 1/20 0.57
PRKCE Q02156 1/20 0.57
NPC1 O15118 1/20 0.50
POLB P06746 1/20 0.50
RAB9A P51151 1/20 0.50
LRRK2 Q5S007 1/20 0.45

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
SCHEMBL2984975 0.83 PRKCQ (0.78) PRKCQPRKCDPRKCHPRKCE
SCHEMBL2985945 0.82 PRKCQ (0.59) PRKCQPRKCDPRKCHPRKCENPC1
SCHEMBL4190125 0.81 PRKCQ (0.65) PRKCQPRKCDPRKCHPRKCE
SCHEMBL4187943 0.80 PRKCQ (0.66) PRKCQPRKCDPRKCHPRKCE
SCHEMBL6994088 0.77 EGFR (0.51) PRKCQPRKCDPRKCHPRKCENPC1
SCHEMBL2984352 0.75 PRKCQ (0.53) PRKCQPRKCDPRKCHPRKCE
SCHEMBL2980130 0.75 PRKCQ (0.57) PRKCQPRKCDPRKCHPRKCE
SCHEMBL4454653 0.74 EGFR (0.71)
SCHEMBL2979299 0.74 PRKCQ (0.75) PRKCQPRKCDPRKCHPRKCE
SCHEMBL2989600 0.74 PRKCQ (0.59) PRKCQPRKCDPRKCHPRKCE

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 3 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 claimed
WO-2007146376-A2 SUBSTITUTED 3-CYANOPYRIDINES AS PROTEIN KINASE INHIBITORS WYETH (US) 2007-12-21 WO claimed
WO-2011079087-A1 ENAC BLOCKERS GLAXO GROUP LIMITED (GB) 2011-06-30 WO disclosed