SCHEMBL21587158

SCHEMBL21587158

C1=CCCC(N(c2ccccc2)c2ccc(-c3ccc4c(c3)c3cc(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)ccc3n4-c3ccc(-c4ccc5ccccc5c4)cc3)cc2)=C1

nearest known ligand 0.30

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 1/20 0.30
▸ PIK3CA P42336 1/20 0.30
▸ MTOR P42345 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
SCHEMBL22293490 0.89 HTR3A (0.30) —
SCHEMBL21587162 0.85 PLA2G2A (0.31) —
SCHEMBL21587227 0.85 ESR1 (0.39) PIK3CDPIK3CAMTOR
SCHEMBL12704948 0.85 ESR1 (0.39) PIK3CDPIK3CAMTOR
SCHEMBL22355065 0.85 KDM4E (0.31) —
SCHEMBL23865595 0.85 — —
SCHEMBL18902831 0.85 KDM4E (0.38) —
SCHEMBL19393437 0.84 HSD17B1 (0.36) —
SCHEMBL13620218 0.84 ESR1 (0.38) PIK3CDPIK3CAMTOR
SCHEMBL12704848 0.84 ESR1 (0.38) PIK3CDPIK3CAMTOR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3579292-B1 ORGANIC LIGHT EMITTING DEVICE LG CHEMICAL LTD (KR) 2020-08-05 — — EP disclosed
EP-3579292-A1 ORGANIC LIGHT EMITTING DEVICE LG Chem, Ltd. (KR) 2019-12-11 — — EP disclosed
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