SCHEMBL31707393

SCHEMBL31707393

COCCCNc1nc(NCCCOC)c(N=N[SH]2C=C(C#N)C(C)=C2C(=O)OC)c(C)c1C#N

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 6/20 0.33
▸ ALDH1A1 P00352 6/20 0.33
▸ HPGD P15428 2/20 0.33
▸ MAPK8 P45983 1/20 0.31
▸ MAPK9 P45984 1/20 0.31
▸ MAPK10 P53779 1/20 0.31
▸ RXFP1 Q9HBX9 1/20 0.31
▸ GAA P10253 1/20 0.30
▸ PKM P14618 1/20 0.30

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
SCHEMBL30153519 0.75 ADORA2A (0.40) KDM4EALDH1A1HPGDRXFP1GAA
SCHEMBL28467027 0.75 ADORA2A (0.40) KDM4EALDH1A1HPGDRXFP1GAA
SCHEMBL13904473 0.75 ADORA2A (0.40) KDM4EALDH1A1HPGDRXFP1GAA
SCHEMBL10085660 0.70 ADORA2A (0.39) KDM4EALDH1A1HPGDMAPK8MAPK9
SCHEMBL13929379 0.67 KDM4E (0.34) KDM4EALDH1A1HPGDRXFP1GAA
SCHEMBL20437933 0.67 CHEK1 (0.39) KDM4EALDH1A1HPGDRXFP1GAA
SCHEMBL19657525 0.67 KDM4E (0.35) KDM4EALDH1A1HPGDRXFP1GAA
SCHEMBL19657506 0.67 KDM4E (0.35) KDM4EALDH1A1HPGDRXFP1GAA
SCHEMBL19657288 0.66 CTSK (0.46) KDM4EALDH1A1HPGDMAPK8MAPK9
SCHEMBL21020124 0.66 KDM4E (0.34) KDM4EALDH1A1HPGDRXFP1GAA

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
US-12448520-B2 Process for colouring a thermoplastic polymer RÖHM GMBH (DE) 2025-10-21 — — US claimed
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