SCHEMBL31409402

SCHEMBL31409402

FC(F)(F)c1cc2n(n1)CCCNC2

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 1/20 0.34
CD274 Q9NZQ7 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
PLAT P00750 1/20 0.32
ADRB1 P08588 2/20 0.32
SOD3 P08294 1/20 0.32
ADRB2 P07550 1/20 0.31
HTR2A P28223 1/20 0.30
HTR2C P28335 1/20 0.30
HTR2B P41595 1/20 0.30
CXCR4 P61073 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
SCHEMBL28779930 0.90 PDCD1 (0.41) PDCD1CD274PLATADRB1SOD3
SCHEMBL20027021 0.84 PDCD1 (0.36) PDCD1CD274SOD3CXCR4
SCHEMBL16814033 0.75 PDCD1 (0.42) PDCD1CD274SOD3HTR2AHTR2C
SCHEMBL31460011 0.75 PDCD1 (0.36) PDCD1CD274SOD3HTR2AHTR2C
SCHEMBL20461181 0.75 PDCD1 (0.36) PDCD1CD274SOD3HTR2AHTR2C
SCHEMBL31409376 0.74 ADRB1 (0.35) PLATADRB1ADRB2HTR2CHTR2B
SCHEMBL15456362 0.73 ADRB1 (0.33) PLATADRB1ADRB2HTR2CHTR2B
SCHEMBL13424015 0.73 PDCD1 (0.44) PDCD1CD274SOD3HTR2AHTR2C
SCHEMBL30793634 0.72 PDCD1 (0.32) PDCD1CD274
SCHEMBL24536069 0.71 PDCD1 (0.36) PDCD1CD274SOD3CXCR4

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
WO-2025038920-A1 HETEROARYL AMINE COMPOUNDS AND USES THEREOF XENON PHARMACEUTICALS, INC. (CA) 2025-02-20 WO disclosed
WO-2025038917-A1 HETEROARYL AMINE COMPOUNDS AND USES THEREOF XENON PHARMACEUTICALS INC. (CA) 2025-02-20 WO disclosed