SCHEMBL21414296

SCHEMBL21414296

N#Cc1cc(C#N)cc(-c2cc(-n3c4ccccc4c4ccc5c6ccccc6oc5c43)c(C#N)c(-n3c4ccccc4c4ccc5c6ccccc6oc5c43)c2)c1

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ TNKS O95271 1/20 0.34
▸ ADORA2A P29274 1/20 0.34
▸ ALOX5 P09917 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
SCHEMBL24173721 0.93 TNKS (0.34) TNKSADORA2AALOX5
SCHEMBL21546907 0.93 PGR (0.37) TNKSADORA2AALOX5
SCHEMBL20617098 0.91 RXRA (0.35) TNKSADORA2A
SCHEMBL22158405 0.88 ADORA2A (0.33) ADORA2AALOX5
SCHEMBL21414109 0.88 TNKS (0.35) TNKSADORA2AALOX5
SCHEMBL19037932 0.88 TNKS (0.35) TNKSADORA2AALOX5
SCHEMBL21414297 0.87 TNKS (0.34) TNKS
SCHEMBL19038179 0.86 TNKS (0.36) TNKSADORA2AALOX5
SCHEMBL22157044 0.85 ADORA2A (0.35) ADORA2A
SCHEMBL21414218 0.84 KDM4E (0.33) TNKSADORA2AALOX5

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-3385264-B1 ORGANIC MOLECULES, IN PARTICULAR FOR THE APPLICATION IN ORGANIC OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2019-10-02 — — EP disclosed
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