SCHEMBL22486569

SCHEMBL22486569

c1ccc(-c2ccc3c(c2)c2c4c5ccccc5n(-c5ccccc5)c4ccc2n3-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c3sc4ccccc4c23)cc1

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.31
ATM Q13315 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
LIMK1 P53667 1/20 0.31

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
SCHEMBL22487529 0.95
SCHEMBL22486596 0.94 KDM4E (0.35) KDM4EATML3MBTL1
SCHEMBL22486570 0.94 KDM4E (0.32) KDM4EATML3MBTL1LIMK1
SCHEMBL17228062 0.93 KDM4E (0.35) KDM4EATML3MBTL1LIMK1
SCHEMBL22486618 0.93 KDM4E (0.33) KDM4EATML3MBTL1
SCHEMBL22487580 0.93 KDM4E (0.33) KDM4EATML3MBTL1LIMK1
SCHEMBL22486567 0.92 KDM4E (0.33) KDM4EATML3MBTL1LIMK1
SCHEMBL22486627 0.92
SCHEMBL22487530 0.89 LIMK1 (0.30) LIMK1
SCHEMBL22486614 0.88 KDM4E (0.32) KDM4EATML3MBTL1

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-2020197253-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DIODE COMPRISING SAME 주식회사 엘지화학 2020-10-01 WO disclosed