SCHEMBL20923795

SCHEMBL20923795

Cc1cc(-c2ccncc2)c(C#N)cc1-n1c2ccccc2c2cc(-c3ccc(C#N)cc3)ccc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 1/20 0.40
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
MAPK14 Q16539 3/20 0.35
FLT3 P36888 2/20 0.35
SQOR Q9Y6N5 1/20 0.34
AAK1 Q2M2I8 3/20 0.34
GSK3B P49841 2/20 0.34
CHEK1 O14757 1/20 0.34
MKNK1 Q9BUB5 1/20 0.34
BMP2K Q9NSY1 1/20 0.34
XDH P47989 1/20 0.34
CYP2C19 P33261 2/20 0.34
KDM4E B2RXH2 1/20 0.34
PDE5A O76074 1/20 0.34
LMNA P02545 1/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
PTGS1 P23219 1/20 0.34
PDE4A P27815 1/20 0.34

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
SCHEMBL20923763 0.96 PTGER4 (0.38) PTGER4CYP11B1CYP11B2MAPK14FLT3
SCHEMBL20924115 0.95 CYP11B2 (0.39) CYP11B1CYP11B2MAPK14FLT3AAK1
SCHEMBL20923681 0.94 CHEK1 (0.37) PTGER4CYP11B1CYP11B2MAPK14FLT3
SCHEMBL20923631 0.93 PTGER4 (0.35) PTGER4CYP11B1CYP11B2MAPK14SQOR
SCHEMBL20923188 0.93 PTGER4 (0.38) PTGER4CYP11B1CYP11B2SQORXDH
SCHEMBL20923836 0.92 CYP11B1 (0.39) PTGER4CYP11B1CYP11B2FLT3SQOR
SCHEMBL19909032 0.92 PTGER4 (0.38) PTGER4CYP11B1CYP11B2MAPK14FLT3
SCHEMBL20923262 0.91 CYP2C19 (0.37) CYP11B1CYP11B2MAPK14FLT3AAK1
SCHEMBL20924046 0.91 PIK3CA (0.41) SQORAAK1GSK3BCHEK1MKNK1
SCHEMBL20923766 0.90 CHEK1 (0.37) PTGER4CYP11B1CYP11B2MAPK14FLT3

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