SCHEMBL31504332

SCHEMBL31504332

c1ccc(COc2ccc(Nc3cccc(OC4CCC4)c3)c(C3CC3)c2)nc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 3/20 0.43
▸ ERBB2 P04626 3/20 0.43
▸ KCNH2 Q12809 1/20 0.39
▸ IGF1R P08069 1/20 0.39
▸ RHOA P61586 1/20 0.38
▸ DHODH Q02127 1/20 0.37
▸ ALDH1A1 P00352 3/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ PTK6 Q13882 1/20 0.37
▸ HRH3 Q9Y5N1 1/20 0.37
▸ ALOX5AP P20292 1/20 0.36
▸ FEN1 P39748 1/20 0.36
▸ MEN1 O00255 4/20 0.36
▸ KMT2A Q03164 4/20 0.36
▸ DGAT1 O75907 1/20 0.36
▸ TYK2 P29597 1/20 0.36
▸ JAK3 P52333 1/20 0.36
▸ PABPC1 P11940 1/20 0.36
▸ NPC1 O15118 1/20 0.36

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
SCHEMBL21623513 1.00 EGFR (0.43) EGFRERBB2KCNH2IGF1RRHOA
SCHEMBL21623453 0.91 EGFR (0.41) EGFRERBB2KCNH2IGF1RRHOA
SCHEMBL31504421 0.91 EGFR (0.41) EGFRERBB2KCNH2IGF1RRHOA
SCHEMBL23272832 0.86 TYK2 (0.39) EGFRERBB2IGF1RRHOAALDH1A1
SCHEMBL31504427 0.86 TYK2 (0.39) EGFRERBB2IGF1RRHOAALDH1A1
SCHEMBL21617195 0.85 MET (0.44) EGFRERBB2RHOAALDH1A1KDM4E
SCHEMBL23307998 0.85 EGFR (0.39) EGFRERBB2KCNH2IGF1RRHOA
SCHEMBL21617268 0.83 SIRT2 (0.40) IGF1RRHOAHRH3ALOX5APFEN1
SCHEMBL31504397 0.83 SIRT2 (0.40) IGF1RRHOAHRH3ALOX5APFEN1
SCHEMBL21623448 0.83 DGAT1 (0.40) RHOAALDH1A1KDM4ESMN1; SMN2PTK6

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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