SCHEMBL23158648

SCHEMBL23158648

C=C(/C=C\C(=C/OC)c1cnc(N)c(-c2ccc(NC/C(C)=C/N/C=C(\C)c3ccc(C)cc3)cc2)c1)OC

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PDGFRB P09619 8/20 0.35
▸ KDR P35968 8/20 0.35
▸ MAP4K4 O95819 1/20 0.33
▸ FYN P06241 2/20 0.30
▸ CHEK2 O96017 3/20 0.30
▸ CHEK1 O14757 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
SCHEMBL23158867 0.90 PDGFRB (0.39) PDGFRBKDR
SCHEMBL23158702 0.78 CHEK2 (0.53) MAP4K4FYNCHEK2CHEK1
SCHEMBL18861302 0.64 MAPK1 (0.38) —
SCHEMBL23158688 0.64 AXL (0.51) MAP4K4FYNCHEK2CHEK1
SCHEMBL23158685 0.61 CHEK2 (0.53) MAP4K4FYNCHEK2CHEK1
SCHEMBL23158795 0.61 — —
SCHEMBL18860363 0.60 CHEK2 (0.47) MAP4K4FYNCHEK2CHEK1
SCHEMBL18860978 0.59 HPGD (0.35) —
SCHEMBL18861220 0.58 FYN (0.56) FYNCHEK2CHEK1
SCHEMBL12518227 0.55 CYP2A6 (0.62) MAP4K4FYN

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
EP-3168219-B1 PYRIDONE DERIVATIVE HAVING TETRAHYDROPYRANYL METHYL GROUP DAIICHI SANKYO CO LTD (JP) 2021-03-31 — — EP disclosed
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