SCHEMBL23279784

SCHEMBL23279784

COC(O)c1ccnc(Cc2cnc3ccc(F)cc3n2)c1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KLKB1 P03952 1/20 0.44
▸ MAP4K1 Q92918 1/20 0.44
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ HIF1A Q16665 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.31
▸ PDE10A Q9Y233 2/20 0.31
▸ PDGFRB P09619 1/20 0.31
▸ PDGFRA P16234 1/20 0.31
▸ PLA2G2A P14555 2/20 0.31
▸ HRH4 Q9H3N8 1/20 0.30
▸ FGFR1 P11362 1/20 0.30
▸ FGFR2 P21802 1/20 0.30
▸ FGFR4 P22455 1/20 0.30
▸ FGFR3 P22607 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
SCHEMBL17442659 0.77 KLKB1 (0.57) KLKB1MAP4K1KDM4EPLA2G2A
SCHEMBL27045873 0.69 KDM5A (0.35) —
SCHEMBL17179179 0.68 KDM4E (0.42) KLKB1MAP4K1KDM4EPDE10APDGFRB
SCHEMBL23279823 0.65 KLKB1 (0.56) KLKB1MAP4K1
SCHEMBL24469567 0.63 GAK (0.44) —
SCHEMBL18458866 0.63 KDM5A (0.31) CYP1A2
SCHEMBL13728317 0.63 PDGFRB (0.46) KDM4EPDGFRBPDGFRA
SCHEMBL21098120 0.62 NOS3 (0.33) —
SCHEMBL19633231 0.62 UHRF1 (0.43) —
SCHEMBL19992429 0.61 LOX (0.44) —

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-3169325-B1 THERAPEUTIC INHIBITORY COMPOUNDS ATTUNE PHARMACEUTICALS INC (US) 2021-04-28 — — EP disclosed
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