SCHEMBL21546719

SCHEMBL21546719

N#Cc1cccc(-c2ccc(-n3c4ccccc4c4ccc5c6ccccc6oc5c43)c(C#N)c2-n2c3ccccc3c3ccc4c5ccccc5oc4c32)c1

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 2/20 0.33
▸ PGR P06401 3/20 0.32
▸ ADORA2A P29274 2/20 0.32
▸ PRKDC P78527 1/20 0.32
▸ PRF1 P14222 1/20 0.31
▸ ADRA2C P18825 1/20 0.31
▸ CSNK2A2 P19784 1/20 0.30
▸ CSNK2B P67870 1/20 0.30
▸ CSNK2A1 P68400 1/20 0.30
▸ CSNK2A3 Q8NEV1 1/20 0.30
▸ ELANE P08246 1/20 0.30
▸ TNKS O95271 1/20 0.30
▸ ADORA1 P30542 1/20 0.30
▸ CLK4 Q9HAZ1 1/20 0.30
▸ GRM5 P41594 1/20 0.30

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
SCHEMBL21546710 0.90 PGR (0.34) PGRADORA2APRF1ADRA2CCSNK2A2
SCHEMBL21547162 0.87 ENPP1 (0.33) ALOX5PGRPRKDCPRF1
SCHEMBL22564518 0.87 RXRA (0.30) —
SCHEMBL22157238 0.86 ADORA2A (0.30) ADORA2A
SCHEMBL21546907 0.85 PGR (0.37) ALOX5PGRADORA2ACSNK2A2CSNK2B
SCHEMBL21546474 0.83 PGR (0.35) ALOX5PGRADORA2APRKDCADRA2C
SCHEMBL21546609 0.83 PGR (0.35) ALOX5PGRADORA2APRKDCADRA2C
SCHEMBL21547055 0.83 ADORA2A (0.35) ADORA2AADRA2CADORA1CLK4
SCHEMBL22157184 0.83 ADORA2A (0.31) ALOX5ADORA2A
SCHEMBL21546461 0.82 PGR (0.35) ALOX5PGRADORA2APRKDCCSNK2A2

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-3478793-B1 ORGANIC MOLECULES, IN PARTICULAR FOR USE IN OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2019-11-06 — — EP disclosed
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