SCHEMBL23320379

SCHEMBL23320379

COc1cccc(-n2cc3ccc(N(CCc4ccncc4)C(N)=O)cc3n2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 1/20 0.41
▸ MKNK1 Q9BUB5 3/20 0.39
▸ MKNK2 Q9HBH9 2/20 0.39
▸ ADORA1 P30542 3/20 0.39
▸ ADORA2A P29274 2/20 0.39
▸ ADORA3 P0DMS8 1/20 0.39
▸ BRAF P15056 1/20 0.37
▸ MAPK14 Q16539 1/20 0.37
▸ SLC2A1 P11166 3/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ ROCK2 O75116 1/20 0.36
▸ ROCK1 Q13464 1/20 0.36
▸ SLC2A4 P14672 1/20 0.36
▸ ADORA2B P29275 1/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.35
▸ LMNA P02545 2/20 0.35
▸ SMN1; SMN2 Q16637 2/20 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
SCHEMBL23320352 0.91 NAMPT (0.42) NAMPTMKNK1MKNK2ADORA1ADORA2A
SCHEMBL23320566 0.79 NAMPT (0.35) NAMPTADORA1ADORA2AADORA3MEN1
SCHEMBL23320378 0.79 ADORA3 (0.37) NAMPTMKNK1ADORA1ADORA2AADORA3
SCHEMBL24042588 0.73 NAMPT (0.77) NAMPTROCK2ROCK1RAB9ALMNA
SCHEMBL23320410 0.72 NAMPT (0.39) NAMPTADORA3MEN1KMT2ARAB9A
SCHEMBL23320396 0.70 NAMPT (0.36) NAMPTADORA1ADORA2AADORA3MAPK14
SCHEMBL23320485 0.70 CHEK1 (0.37) SLC2A1ROCK2ROCK1SLC2A4HSD17B10
SCHEMBL23320443 0.69 ADORA1 (0.48) ADORA1ADORA2AADORA3BRAFMAPK14
SCHEMBL23320420 0.69 ADORA1 (0.54) ADORA1ADORA2AADORA3BRAFMAPK14
SCHEMBL30943227 0.69 ADORA1 (0.48) ADORA1ADORA2AADORA3BRAFMAPK14

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
EP-3818053-A1 FUSED RING COMPOUND HAVING UREA STRUCTURE Sanford Burnham Prebys Medical Discovery Institute (US) 2021-05-12 — — EP disclosed
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