SCHEMBL31409376

SCHEMBL31409376

[2H]C1([2H])NCCn2nc(C(F)(F)F)cc21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 3/20 0.35
ADRB2 P07550 2/20 0.34
HTR2C P28335 2/20 0.32
PLAT P00750 1/20 0.32
ADRA2A P08913 1/20 0.32
AXL P30530 1/20 0.32
HRH1 P35367 1/20 0.32
HTR2B P41595 1/20 0.32
HTR6 P50406 1/20 0.32
MKNK1 Q9BUB5 1/20 0.32
MKNK2 Q9HBH9 1/20 0.32
HTR3E A5X5Y0 1/20 0.30
HTR3B O95264 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HTR1D P28221 1/20 0.30
HTR3A P46098 1/20 0.30
HTR3D Q70Z44 1/20 0.30
HTR3C Q8WXA8 1/20 0.30
SIGMAR1 Q99720 1/20 0.30
PTGS1 P23219 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 0.83 PDCD1 (0.41) ADRB1ADRB2HTR2CPLATADRA2A
SCHEMBL31409402 0.74 PDCD1 (0.34) ADRB1ADRB2HTR2CPLATHTR2B
SCHEMBL26603784 0.67 LRRK2 (0.46) ALDH1A1
SCHEMBL13424015 0.67 PDCD1 (0.44) HTR2C
SCHEMBL25594644 0.66 GRM5 (0.40) ADRB1ADRB2HTR2CADRA2AAXL
SCHEMBL24860282 0.65 PTGS1 (0.36) ADRB1PTGS1
SCHEMBL27341122 0.65 CDC7 (0.54) PLATALDH1A1PTGS1
SCHEMBL24872171 0.65 PDCD1 (0.42) HTR2C
SCHEMBL25412060 0.65 PDCD1 (0.42) HTR2C
SCHEMBL31409374 0.64 PLAT (0.34) PLATALDH1A1

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