SCHEMBL20923767

SCHEMBL20923767

N#Cc1ccc(-c2ccc3c4ccc(-c5ccc(C#N)cc5)cc4n(-c4cc(-c5ccncc5)c(C#N)cc4-c4ccccc4)c3c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 1/20 0.40
IMPDH2 P12268 1/20 0.39
MAPK14 Q16539 2/20 0.38
MAPK13 O15264 1/20 0.38
RAF1 P04049 1/20 0.38
MAPK12 P53778 1/20 0.38
MAPK11 Q15759 1/20 0.38
PRKACA P17612 1/20 0.38
CDK8 P49336 1/20 0.38
CLK2 P49760 1/20 0.38
GSK3A P49840 1/20 0.38
GSK3B P49841 1/20 0.38
CDK9 P50750 1/20 0.38
CDK5 Q00535 1/20 0.38
PRKCQ Q04759 1/20 0.38
ROCK1 Q13464 1/20 0.38
DYRK1A Q13627 1/20 0.38
LRRK2 Q5S007 1/20 0.38
CLK4 Q9HAZ1 1/20 0.38
DYRK1B Q9Y463 1/20 0.38

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
SCHEMBL20923762 0.97 PIK3CA (0.38) PIK3CAIMPDH2MAPK14MAPK13RAF1
SCHEMBL20923792 0.96 MAPK14 (0.41) PIK3CAIMPDH2MAPK14MAPK13RAF1
SCHEMBL20923676 0.93 FLT3 (0.39) PIK3CAIMPDH2MAPK14MAPK13RAF1
SCHEMBL20923266 0.93 PIK3CA (0.37) PIK3CAIMPDH2MAPK14MAPK13RAF1
SCHEMBL20923088 0.92 PIK3CA (0.41) PIK3CAIMPDH2PRKACACDK8CLK2
SCHEMBL20923546 0.92 CYP19A1 (0.41) PIK3CAMAPK14MAPK13RAF1MAPK12
SCHEMBL20924092 0.92 CYP19A1 (0.40) PIK3CAMAPK14MAPK13RAF1MAPK12
SCHEMBL20923265 0.91 PIK3CA (0.43) PIK3CAIMPDH2MAPK14MAPK13RAF1
SCHEMBL20923264 0.91 PIK3CA (0.40) PIK3CAIMPDH2MAPK14MAPK13RAF1
SCHEMBL19909144 0.90 IMPDH2 (0.43) PIK3CAIMPDH2PRKACACDK8CLK2

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-3266772-B1 ORGANIC MOLECULES, IN PARTICULAR FOR USE IN OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2019-04-24 EP disclosed