SCHEMBL21177658

SCHEMBL21177658

O=C(NCc1cc2c(Cl)c[nH]c2cc1F)c1cn(Cc2cc(F)c3ncc(Cl)cc3c2)nc1CF

nearest known ligand 0.64

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ KLKB1 P03952 20/20 0.64
▸ MAP4K1 Q92918 12/20 0.46

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
SCHEMBL21177629 0.90 KLKB1 (0.79) KLKB1MAP4K1
SCHEMBL19780378 0.88 KLKB1 (0.82) KLKB1MAP4K1
SCHEMBL21179429 0.87 KLKB1 (0.60) KLKB1MAP4K1
SCHEMBL21185843 0.87 KLKB1 (0.80) KLKB1MAP4K1
SCHEMBL21182354 0.80 KLKB1 (0.63) KLKB1
SCHEMBL21177315 0.79 KLKB1 (0.79) KLKB1MAP4K1
SCHEMBL24117387 0.79 KLKB1 (0.74) KLKB1MAP4K1
SCHEMBL19780084 0.78 KLKB1 (1.00) KLKB1MAP4K1
SCHEMBL21178100 0.78 KLKB1 (0.60) KLKB1
SCHEMBL21190090 0.78 KLKB1 (0.48) KLKB1MAP4K1

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-2019142053-A2 THERAPEUTIC INHIBITORY COMPOUNDS LIFESCI PHARMACEUTICALS, INC. (BB) 2019-07-25 — — WO disclosed
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