SCHEMBL20923271

SCHEMBL20923271

N#Cc1cc(C#N)cc(-c2ccc3c(c2)c2ccccc2n3-c2cc(-c3ccncc3)c(C#N)cc2-c2ccccc2)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 1/20 0.37
SQOR Q9Y6N5 1/20 0.34
METAP2 P50579 2/20 0.34
PRKACA P17612 1/20 0.34
CDK8 P49336 1/20 0.34
CLK2 P49760 1/20 0.34
GSK3A P49840 1/20 0.34
GSK3B P49841 1/20 0.34
CDK9 P50750 1/20 0.34
CDK5 Q00535 1/20 0.34
PRKCQ Q04759 1/20 0.34
ROCK1 Q13464 1/20 0.34
DYRK1A Q13627 1/20 0.34
LRRK2 Q5S007 1/20 0.34
CLK4 Q9HAZ1 1/20 0.34
DYRK1B Q9Y463 1/20 0.34
CYP1A2 P05177 2/20 0.33
CYP2C9 P11712 2/20 0.33
HPGD P15428 2/20 0.33
USP2 O75604 1/20 0.33

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
SCHEMBL20923272 0.97 PIK3CA (0.39) PIK3CASQORMETAP2PRKACACDK8
SCHEMBL20923627 0.96 SQOR (0.36) PIK3CASQORMETAP2PRKACACDK8
SCHEMBL20923264 0.93 PIK3CA (0.40) PIK3CASQORPRKACACDK8CLK2
SCHEMBL19909526 0.93 SQOR (0.34) PIK3CASQORMETAP2PRKACACDK8
SCHEMBL19909157 0.93 SQOR (0.34) PIK3CASQORPRKACACDK8CLK2
SCHEMBL20923570 0.93 PIK3CA (0.37) PIK3CASQORMETAP2PRKACACDK8
SCHEMBL20923530 0.93 PIK3CA (0.43) PIK3CASQORMETAP2PRKACACDK8
SCHEMBL20923266 0.91 PIK3CA (0.37) PIK3CASQORMETAP2PRKACACDK8
SCHEMBL20923860 0.90 SQOR (0.36) PIK3CASQORMETAP2PRKACACDK8
SCHEMBL20923543 0.90 CYP19A1 (0.39) SQORMETAP2CYP1A2CYP2C9HPGD

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