SCHEMBL26582009

SCHEMBL26582009

N#Cc1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1-c1ccc2ccccc2c1-c1cc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4ccc5ccccc5c4)c3)n2)ccc1C#N

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FASN P49327 1/20 0.40
▸ PIM1 P11309 2/20 0.40
▸ ADORA2A P29274 1/20 0.37
▸ ADORA1 P30542 1/20 0.37
▸ PDE9A O76083 1/20 0.37
▸ ALDH1A1 P00352 6/20 0.36
▸ KMT2A Q03164 5/20 0.36
▸ MEN1 O00255 4/20 0.36
▸ CYP1A2 P05177 4/20 0.36
▸ HSD17B10 Q99714 3/20 0.36
▸ LMNA P02545 3/20 0.36
▸ CYP3A4 P08684 2/20 0.36
▸ CYP2C19 P33261 2/20 0.36
▸ CLK4 Q9HAZ1 2/20 0.36
▸ TSHR P16473 2/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ HSD17B1 P14061 1/20 0.36
▸ HSD17B2 P37059 1/20 0.36
▸ KDM4E B2RXH2 4/20 0.35

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
SCHEMBL26582007 0.93 KMT2A (0.39) PIM1ALDH1A1KMT2AMEN1CYP1A2
SCHEMBL25036152 0.83 FASN (0.37) FASNPIM1ADORA2AADORA1ALDH1A1
SCHEMBL26582010 0.82 XDH (0.43) ALDH1A1KMT2AMEN1CYP1A2HSD17B10
SCHEMBL25038880 0.81 PIM1 (0.39) FASNPIM1ADORA2AADORA1PDE9A
SCHEMBL26581953 0.81 ADORA2A (0.41) FASNPIM1ADORA2AADORA1ALDH1A1
SCHEMBL25038485 0.81 PIM1 (0.38) FASNPIM1ADORA2AADORA1PDE9A
SCHEMBL23383811 0.81 ADORA2A (0.43) FASNPIM1ADORA2AADORA1ALDH1A1
SCHEMBL26553079 0.81 ADORA2A (0.43) FASNPIM1ADORA2AADORA1ALDH1A1
SCHEMBL26591997 0.81 TRPA1 (0.43) FASNPIM1ADORA2AADORA1ALDH1A1
SCHEMBL25038495 0.80 PIM1 (0.38) FASNPIM1ALDH1A1KMT2AMEN1

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-2023195735-A1 NOVEL COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE USING SAME 주식회사 엘지화학 2023-10-12 — — WO disclosed
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