SCHEMBL31128809

SCHEMBL31128809

Cc1ccnc(Oc2ccc(-c3c(I)sc4c(Br)cnc(N)c34)cc2)n1

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 3/20 0.35
FEN1 P39748 3/20 0.35
BTK Q06187 4/20 0.34
SCN9A Q15858 1/20 0.32
KDR P35968 1/20 0.31
EPHB4 P54760 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
SCHEMBL31129017 0.86 ALOX5AP (0.46) ALOX5APFEN1EPHB4
SCHEMBL31128856 0.82 ALOX5AP (0.35) ALOX5APFEN1BTKKDR
SCHEMBL31128955 0.80 BTK (0.53) BTKKDREPHB4
SCHEMBL31128969 0.77 FGFR1 (0.48) BTKKDR
SCHEMBL31129012 0.75 CYP3A4 (0.41)
SCHEMBL31129007 0.72 MEN1 (0.32) ALOX5APFEN1BTKKDR
SCHEMBL29407667 0.69 CYP3A4 (0.47) KDREPHB4
SCHEMBL22677433 0.69 CYP3A4 (0.47) KDREPHB4
SCHEMBL30366660 0.69 TNK2 (0.34) ALOX5APFEN1KDR
SCHEMBL28981130 0.68 SCN9A (0.36) ALOX5APFEN1BTKSCN9A

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-2024208315-A1 AROMATIC HETEROCYCLIC COMPOUND, AND PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF 中国医药研究开发中心有限公司 2024-10-10 WO disclosed