SCHEMBL20865454

SCHEMBL20865454

c1ccc(C2=NC(c3ccccc3)NC(c3cccc(-c4cccc5c4sc4ccc6c7ccccc7sc6c45)c3)N2)cc1

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 1/20 0.40
▸ PRKDC P78527 1/20 0.33
▸ LIMK1 P53667 1/20 0.32
▸ TNKS O95271 1/20 0.31
▸ TNKS2 Q9H2K2 1/20 0.31
▸ P2RX7 Q99572 2/20 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
SCHEMBL21215255 0.88 ALOX5 (0.34) ALOX5
SCHEMBL21926344 0.86 ALOX5 (0.40) ALOX5PRKDC
SCHEMBL21926343 0.86 ALOX5 (0.40) ALOX5PRKDCLIMK1
SCHEMBL22924185 0.85 ALOX5 (0.40) ALOX5PRKDC
SCHEMBL21926274 0.85 ALOX5 (0.35) ALOX5TNKSTNKS2
SCHEMBL22924391 0.84 ALOX5 (0.33) ALOX5
SCHEMBL25730932 0.83 ALOX5 (0.32) ALOX5PRKDC
SCHEMBL22924201 0.83 ALOX5 (0.33) ALOX5PRKDC
SCHEMBL22901084 0.83 F9 (0.31) P2RX7
SCHEMBL22924207 0.83 ALOX5 (0.33) ALOX5PRKDC

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
WO-2019066260-A1 ORGANIC ELECTROLUMINESCENT COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2019-04-04 — — WO disclosed
Send feedback