SCHEMBL21868705

SCHEMBL21868705

N=C(OC(=N)c1ccc(-c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2ccccc2C32c3ccccc3-c3ccccc32)cc1)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 18/20 0.41
▸ PRSS1 P07477 1/20 0.34
▸ PRSS2 P07478 1/20 0.34
▸ PRSS3 P35030 1/20 0.34
▸ RARB P10826 1/20 0.34
▸ RARG P13631 1/20 0.34
▸ RXRA P19793 1/20 0.34

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
SCHEMBL21868268 0.90 PDK2 (0.37) PDK2
SCHEMBL21868076 0.85 ESR1 (0.35) PDK2RARBRARGRXRA
SCHEMBL24905104 0.83 PDK2 (0.41) PDK2PRSS1PRSS2PRSS3RARB
SCHEMBL21868325 0.82 PDK2 (0.38) PDK2RARBRARGRXRA
SCHEMBL21583275 0.78 PDK2 (0.39) PDK2PRSS1PRSS2PRSS3
SCHEMBL21868730 0.78 PDK2 (0.44) PDK2PRSS1PRSS2PRSS3
SCHEMBL21394151 0.75 PDK2 (0.45) PDK2
SCHEMBL21394299 0.75 PDK2 (0.45) PDK2
SCHEMBL21394296 0.75 PDK2 (0.45) PDK2
SCHEMBL21868610 0.75 PDK2 (0.45) PDK2

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
US-20230024114-A1 ORGANIC LIGHT-EMITTING DEVICE LG CHEM, LTD. (KR) 2023-01-26 — — US disclosed
WO-2020067823-A1 ORGANIC ELECTROLUMINESCENT ELEMENT 주식회사 엘지화학 2020-04-02 — — WO disclosed
Send feedback