SCHEMBL31057488

SCHEMBL31057488

Brc1ccnc2[nH]nnc12

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 1/20 0.42
DAO P14920 1/20 0.40
MAPK1 P28482 1/20 0.36
AXL P30530 1/20 0.33

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
SCHEMBL25258588 1.00 PRKCI (0.42) PRKCIDAOMAPK1AXL
SCHEMBL30503678 0.75 KDM4E (0.35) DAO
SCHEMBL18614442 0.75 AXL (0.42) PRKCIDAOAXL
SCHEMBL5394 0.75 KDM4E (0.35) DAO
SCHEMBL17546638 0.75 CCR1 (0.40)
Water SCHEMBL5968353 0.73 KDM4E (0.34)
SCHEMBL17545818 0.71
SCHEMBL28083103 0.69 KDM4E (0.41) PRKCIDAOMAPK1AXL
SCHEMBL21856245 0.68 MAPK1 (0.52) PRKCIDAOMAPK1AXL
SCHEMBL29506191 0.68 MAPK1 (0.52) PRKCIDAOMAPK1AXL

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
CN-118488944-A Nitrogen-containing heterocyclic compound having Nrf2 activation 中外制药株式会社 2024-08-13 CN disclosed