SCHEMBL22924408

SCHEMBL22924408

c1ccc(C2=NC(c3cccc4c3sc3cc(-c5cccc6c5sc5ccccc56)ccc34)NC(c3cccc4c3sc3ccccc34)N2)cc1

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 1/20 0.43
▸ PRKDC P78527 1/20 0.35
▸ TNKS O95271 1/20 0.32
▸ TNKS2 Q9H2K2 1/20 0.32
▸ LIMK1 P53667 4/20 0.31
▸ PARP14 Q460N5 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
SCHEMBL21926046 0.93 ALOX5 (0.40) ALOX5PRKDCLIMK1
SCHEMBL22924204 0.91 ALOX5 (0.37) ALOX5PRKDCTNKSTNKS2LIMK1
SCHEMBL21926179 0.90 ALOX5 (0.37) ALOX5PRKDC
SCHEMBL21926040 0.89 ALOX5 (0.42) ALOX5PRKDCLIMK1
SCHEMBL21926053 0.89 ALOX5 (0.39) ALOX5PRKDC
SCHEMBL21926045 0.87 PRKDC (0.38) ALOX5PRKDC
SCHEMBL24383997 0.86 ALOX5 (0.39) ALOX5PRKDC
SCHEMBL22924182 0.85 ALOX5 (0.42) ALOX5PRKDC
SCHEMBL26178182 0.84 LIMK1 (0.34) ALOX5LIMK1
SCHEMBL21926041 0.84 ALOX5 (0.37) 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
EP-3770157-A1 NOVEL HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DIODE USING SAME LG CHEM, LTD. (KR) 2021-01-27 — — EP disclosed
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