SCHEMBL31504454

SCHEMBL31504454

Cc1c(NC(=O)C2(C#N)CC2)cccc1Nc1ccc(OCc2ccccn2)cc1C1CC1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.38
▸ CNR2 P34972 4/20 0.38
▸ TSHR P16473 1/20 0.37
▸ MAPK14 Q16539 6/20 0.37
▸ SMO Q99835 6/20 0.37
▸ TYK2 P29597 1/20 0.36
▸ JAK3 P52333 1/20 0.36
▸ BTK Q06187 1/20 0.35
▸ PDCD1 Q15116 1/20 0.35
▸ CD274 Q9NZQ7 1/20 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
SCHEMBL21617236 1.00 KMT2A (0.38) KMT2ACNR2TSHRMAPK14SMO
SCHEMBL23308002 0.87 TYK2 (0.39) KMT2ACNR2MAPK14SMOTYK2
SCHEMBL21623401 0.86 CNR2 (0.40) KMT2ACNR2TSHRMAPK14SMO
SCHEMBL31504348 0.86 CNR2 (0.40) KMT2ACNR2TSHRMAPK14SMO
SCHEMBL23308003 0.80 CNR2 (0.39) KMT2ACNR2MAPK14SMOTYK2
SCHEMBL21617197 0.79 CTSK (0.40) KMT2ACNR2MAPK14SMOTYK2
SCHEMBL31504434 0.79 CTSK (0.40) KMT2ACNR2MAPK14SMOTYK2
SCHEMBL23307996 0.78 PDCD1 (0.33) BTKPDCD1CD274
SCHEMBL21623470 0.77 CNR2 (0.40) KMT2ACNR2MAPK14SMOTYK2
SCHEMBL31504445 0.77 CNR2 (0.40) KMT2ACNR2MAPK14SMOTYK2

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
EP-3820850-B1 PHENYL/PYRIDYL-N-PHENYL/PYRIDYL DERIVATIVES FOR TREATING A RNA VIRUS INFECTION ABIVAX (FR) 2026-04-01 — — EP disclosed
CN-112638877-B Phenyl/pyridinyl-N-phenyl/pyridinyl derivatives for the treatment of RNA viral infections ABIVAX公司 2025-04-22 — — CN disclosed
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