SCHEMBL31037481

SCHEMBL31037481

O=C(NCCc1cccnc1)Nc1ccc(-c2ccncc2)c(C#Cc2ccc(C(=O)NCCN3CCCCC3)cc2)c1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 9/20 0.53
▸ BRAF P15056 1/20 0.45
▸ CHRNA7 P36544 1/20 0.44
▸ HIF1A Q16665 3/20 0.43
▸ EPAS1 Q99814 3/20 0.43
▸ ABL1 P00519 1/20 0.42
▸ BCR P11274 1/20 0.42
▸ EPHX2 P34913 2/20 0.42
▸ CACNA1G O43497 1/20 0.41

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
SCHEMBL31037343 1.00 NAMPT (0.53) NAMPTBRAFCHRNA7HIF1AEPAS1
SCHEMBL31037297 0.93 NAMPT (0.44) NAMPTBRAFHIF1AEPAS1
SCHEMBL31037264 0.91 NAMPT (0.43) NAMPTBRAFCHRNA7HIF1AEPAS1
SCHEMBL31037295 0.90 NAMPT (0.42) NAMPTHIF1AEPAS1
SCHEMBL31037282 0.89 NAMPT (0.42) NAMPTHIF1AEPAS1
SCHEMBL31037288 0.88 MAPK14 (0.42) NAMPTHIF1AEPAS1
SCHEMBL31037513 0.88 NAMPT (0.45) NAMPTBRAFHIF1AEPAS1
SCHEMBL31037344 0.86 NAMPT (0.50) NAMPTCHRNA7HIF1AEPAS1EPHX2
SCHEMBL31037329 0.85 NAMPT (0.45) NAMPTCHRNA7HIF1AEPAS1ABL1
SCHEMBL31037269 0.84 ROCK2 (0.46) NAMPT

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-2024166024-A1 NEW COMPOUND AND PHARMACEUTICAL COMPOSITION COMPRISING SAME 삼진제약주식회사 2024-08-15 — — WO disclosed
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