SCHEMBL31128239

SCHEMBL31128239

CO[C@@H]1CCN(c2cc(Br)c(Br)nc2C)C1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.35
PDE1B Q01064 1/20 0.35
CHRM3 P20309 1/20 0.34
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34
USP30 Q70CQ3 1/20 0.34
CACNA2D1 P54289 1/20 0.33
CACNA2D2 Q9NY47 1/20 0.33
PIK3CA P42336 1/20 0.33
TYK2 P29597 1/20 0.33
FASN P49327 3/20 0.33
SMPD3 Q9NY59 2/20 0.33
AOC3 Q16853 1/20 0.33
EGFR P00533 1/20 0.32
NTSR1 P30989 3/20 0.32
MAP4K4 O95819 1/20 0.32

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
SCHEMBL31128241 1.00 PDE10A (0.35) PDE10APDE1BCHRM3PDE4APDE4B
SCHEMBL31128304 0.82 SMPD3 (0.39) PDE10ACHRM3PDE4APDE4BPDE4C
SCHEMBL31128206 0.82 SMPD3 (0.39) PDE10ACHRM3PDE4APDE4BPDE4C
SCHEMBL31128194 0.80 SMPD3 (0.39) PDE10ASMPD3
SCHEMBL31128322 0.80 SMPD3 (0.39) PDE10ASMPD3
SCHEMBL31128254 0.74 CHRM4 (0.37) CHRM3PDE4APDE4BPDE4CPDE4D
SCHEMBL31128276 0.74 NCF1 (0.38)
SCHEMBL7949976 0.72 CARM1 (0.37) PDE1BUSP30NTSR1
SCHEMBL31128391 0.70 MAPK1 (0.47) PIK3CA
SCHEMBL24824099 0.69 TYK2 (0.35) PDE1BUSP30TYK2FASN

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-2024166131-A1 HETEROARYL COMPOUNDS AS PKMYT1 INHIBITORS SATYARX PHARMA INNOVATIONS PRIVATE LIMITED (IN) 2024-08-15 WO disclosed