SCHEMBL25861653

SCHEMBL25861653

N=C(/C=C\C(=N)c1ccc(-c2c(-c3ccc(-c4ccccc4)cc3)cccc2-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2)cc1)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 2/20 0.40
▸ ADORA2A P29274 2/20 0.40
▸ ADORA2B P29275 2/20 0.40
▸ ADORA1 P30542 2/20 0.40
▸ TSHR P16473 2/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ WDR5 P61964 1/20 0.38
▸ PRSS1 P07477 5/20 0.35
▸ F2 P00734 4/20 0.35
▸ F10 P00742 4/20 0.35
▸ PLG P00747 4/20 0.35
▸ PLAU P00749 4/20 0.35
▸ PLAT P00750 3/20 0.35
▸ F9 P00740 1/20 0.35
▸ L3MBTL1 Q9Y468 2/20 0.35
▸ POLB P06746 1/20 0.35
▸ PRSS2 P07478 2/20 0.35
▸ PRSS3 P35030 2/20 0.35
▸ MEN1 O00255 3/20 0.34
▸ KMT2A Q03164 3/20 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
SCHEMBL25861649 0.93 WDR5 (0.39) ADORA3ADORA2AADORA2BADORA1TSHR
SCHEMBL25861647 0.91 ADORA2A (0.39) ADORA3ADORA2AADORA2BADORA1TSHR
SCHEMBL25861813 0.91 WDR5 (0.40) WDR5PRSS1F2F10PLG
SCHEMBL25862046 0.89 MMP9 (0.38) WDR5PRSS1F2F10PLG
SCHEMBL20404952 0.87 TSHR (0.43) ADORA3ADORA2AADORA2BADORA1TSHR
SCHEMBL25861808 0.83 WDR5 (0.41) WDR5PRSS1F2F10PRSS2
SCHEMBL26592130 0.83 ADORA2A (0.49) ADORA3ADORA2AADORA2BADORA1TSHR
SCHEMBL25861804 0.83 ADORA2A (0.49) ADORA3ADORA2AADORA2BADORA1TSHR
SCHEMBL26592132 0.83 ADORA2A (0.49) ADORA3ADORA2AADORA2BADORA1TSHR
SCHEMBL26592133 0.83 ADORA2A (0.49) ADORA3ADORA2AADORA2BADORA1TSHR

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-2023136457-A1 NOVEL COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME 주식회사 엘지화학 2023-07-20 — — WO disclosed
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