SCHEMBL31361704

SCHEMBL31361704

C[S+]([O-])c1ncc(C(=O)Nc2c(Cl)cccc2Cl)c(OC2CC2)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 3/20 0.41
PDE4A P27815 2/20 0.41
PDE4B Q07343 2/20 0.41
PDE4C Q08493 2/20 0.41
EPHX2 P34913 1/20 0.38
DHODH Q02127 2/20 0.38
POLB P06746 1/20 0.37
LCK P06239 5/20 0.37
MAPK14 Q16539 3/20 0.37
MAPK13 O15264 1/20 0.37
EGFR P00533 1/20 0.37
FYN P06241 1/20 0.37
HCK P08631 1/20 0.37
SRC P12931 1/20 0.37
JAK3 P52333 1/20 0.37
MAPK12 P53778 1/20 0.37
MAPK11 Q15759 1/20 0.37
MALT1 Q9UDY8 1/20 0.35
CHRNA7 P36544 1/20 0.35
TYK2 P29597 1/20 0.35

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
SCHEMBL31361647 0.86 ACACB (0.41) PDE4DPDE4APDE4BPDE4CDHODH
SCHEMBL30962741 0.84 PDE4A (0.43) PDE4DPDE4APDE4BPDE4CEPHX2
SCHEMBL31361629 0.81 KMT2A (0.47) PDE4DPDE4APDE4BPDE4CPOLB
SCHEMBL31361692 0.80 TLR9 (0.42) PDE4DPDE4APDE4BPDE4CEPHX2
SCHEMBL31361688 0.78 RXFP1 (0.46) PDE4DPDE4APDE4BPDE4CPOLB
SCHEMBL31361672 0.77 PDE4A (0.43) PDE4DPDE4APDE4BPDE4CEPHX2
SCHEMBL31361675 0.75 DHODH (0.46) PDE4BDHODH
SCHEMBL31361679 0.75 JAK1 (0.54) JAK3TYK2
SCHEMBL31361635 0.75 JAK2 (0.42) DHODHLCKEGFRSRCJAK3
SCHEMBL31361585 0.74 PDE4B (0.46) PDE4DPDE4APDE4BPDE4CPOLB

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