SCHEMBL31467698

SCHEMBL31467698

COc1cc2nncc(Br)c2cc1OC1CCS(=O)(=O)CC1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 11/20 0.39
PDE4A P27815 2/20 0.39
PDE4B Q07343 2/20 0.39
PDE4C Q08493 2/20 0.39
PDE4D Q08499 2/20 0.39
ERBB2 P04626 1/20 0.38
EPHA2 P29317 1/20 0.38
KDR P35968 1/20 0.38
EPHB4 P54760 1/20 0.38
SYK P43405 1/20 0.37
ABL1 P00519 1/20 0.37
SRC P12931 1/20 0.37
ABL2 P42684 1/20 0.37
PDGFRB P09619 1/20 0.36
PDGFRA P16234 1/20 0.36
EGFR P00533 1/20 0.36
TLR9 Q9NR96 1/20 0.36
TLR7 Q9NYK1 1/20 0.36

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
SCHEMBL13909598 0.89 PDE10A (0.44) PDE10APDE4APDE4BPDE4CPDE4D
SCHEMBL2209746 0.80 PDE10A (0.50) PDE10A
SCHEMBL31467684 0.80 PDE10A (0.50) PDE10A
SCHEMBL31467694 0.76 SOS1 (0.49) PDE10APDE4BERBB2EGFR
SCHEMBL31467691 0.76 SOS1 (0.49) PDE10APDE4BERBB2EGFR
SCHEMBL8078229 0.75 PDE10A (0.43) PDE10APDE4APDE4BPDE4CPDE4D
SCHEMBL31467699 0.73 SOS1 (0.63) EGFR
SCHEMBL31467707 0.71 EGFR (0.49) ERBB2EPHA2KDREPHB4ABL1
SCHEMBL4164752 0.70 PDE10A (0.44) PDE10A
SCHEMBL4167893 0.70 PDE10A (0.44) PDE10A

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-2025062157-A1 NEW TREATMENTS FOR PAIN SEVENLESS THERAPEUTICS LIMITED (GB) 2025-03-27 WO disclosed