SCHEMBL31361672

SCHEMBL31361672

O=C(Nc1c(Cl)cccc1Cl)c1cncnc1OC1CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 3/20 0.43
PDE4B Q07343 3/20 0.43
PDE4C Q08493 3/20 0.43
PDE4D Q08499 3/20 0.43
TYK2 P29597 1/20 0.43
EPHX2 P34913 1/20 0.42
LCK P06239 2/20 0.41
MAPK14 Q16539 2/20 0.41
MAPK13 O15264 1/20 0.41
EGFR P00533 1/20 0.41
FYN P06241 1/20 0.41
HCK P08631 1/20 0.41
SRC P12931 1/20 0.41
JAK3 P52333 1/20 0.41
MAPK12 P53778 1/20 0.41
MAPK11 Q15759 1/20 0.41
IRAK4 Q9NWZ3 2/20 0.40
IRAK1 P51617 1/20 0.40
POLB P06746 1/20 0.40
MALT1 Q9UDY8 2/20 0.40

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
SCHEMBL30962741 0.83 PDE4A (0.43) PDE4APDE4BPDE4CPDE4DTYK2
SCHEMBL30962654 0.83 PDE4D (0.49) PDE4APDE4BPDE4CPDE4DTYK2
SCHEMBL31361629 0.79 KMT2A (0.47) PDE4APDE4BPDE4CPDE4DPOLB
SCHEMBL31361692 0.78 TLR9 (0.42) PDE4APDE4BPDE4CPDE4DEPHX2
SCHEMBL31361704 0.77 PDE4D (0.41) PDE4APDE4BPDE4CPDE4DTYK2
SCHEMBL30962826 0.75 PDE4D (0.43) PDE4APDE4BPDE4CPDE4DTYK2
SCHEMBL31361688 0.75 RXFP1 (0.46) PDE4APDE4BPDE4CPDE4DLCK
SCHEMBL31361635 0.74 JAK2 (0.42) TYK2LCKEGFRSRCJAK3
SCHEMBL23143266 0.68 ELANE (0.42) PDE4BPOLBLMNAGAATSHR
SCHEMBL20646815 0.68 IRAK4 (0.39) TYK2IRAK4IRAK1

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-2025017116-A1 PHARMACEUTICAL COMPOUNDS HAVING ACTIVITY AS WEE1 INHIBITORS SENTINEL ONCOLOGY LIMITED (GB) 2025-01-23 WO disclosed