SCHEMBL21868695

SCHEMBL21868695

N=C(/C=C\C(=N)c1cccc(-c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2ccccc2C32c3ccccc3-c3ccccc32)c1)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 15/20 0.43
▸ PRSS1 P07477 1/20 0.39
▸ PRSS2 P07478 1/20 0.39
▸ PRSS3 P35030 1/20 0.39
▸ KMO O15229 1/20 0.33
▸ TDP2 O95551 1/20 0.32

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
SCHEMBL21868101 0.93 PDK2 (0.40) PDK2PRSS1PRSS2PRSS3KMO
SCHEMBL24905104 0.92 PDK2 (0.41) PDK2PRSS1PRSS2PRSS3
SCHEMBL22841654 0.86 PDK2 (0.39) PDK2PRSS1PRSS2PRSS3
SCHEMBL19298696 0.86 PDK2 (0.37) PDK2PRSS1PRSS2PRSS3
SCHEMBL21868271 0.85 PDK2 (0.41) PDK2
SCHEMBL21868061 0.83 PDK2 (0.34) PDK2
SCHEMBL21868720 0.82 PDK2 (0.38) PDK2PRSS1PRSS2PRSS3
SCHEMBL20619790 0.82 PDK2 (0.36) PDK2PRSS1PRSS2PRSS3
SCHEMBL20619213 0.82 PDK2 (0.34) PDK2PRSS1PRSS2PRSS3
SCHEMBL24293448 0.80 PRSS1 (0.33) PDK2PRSS1PRSS2PRSS3

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
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