SCHEMBL21185845

SCHEMBL21185845

O=C(NCc1n[nH]c2ccc(Cl)cc12)c1cnc(Cc2ccc3ncc(Cl)cc3c2)o1

nearest known ligand 0.63

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ KLKB1 P03952 20/20 0.63
▸ MAP4K1 Q92918 10/20 0.51

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
SCHEMBL19779816 0.89 KLKB1 (0.80) KLKB1MAP4K1
SCHEMBL21178008 0.85 KLKB1 (0.47) KLKB1MAP4K1
SCHEMBL18360263 0.85 KLKB1 (0.55) KLKB1MAP4K1
SCHEMBL21185837 0.84 KLKB1 (0.57) KLKB1MAP4K1
SCHEMBL18360230 0.84 KLKB1 (0.55) KLKB1MAP4K1
SCHEMBL18360292 0.83 KLKB1 (0.59) KLKB1MAP4K1
SCHEMBL18360345 0.83 KLKB1 (0.56) KLKB1MAP4K1
SCHEMBL18360297 0.83 KLKB1 (0.54) KLKB1MAP4K1
SCHEMBL18360335 0.83 KLKB1 (0.55) KLKB1MAP4K1
SCHEMBL18360289 0.83 KLKB1 (0.57) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

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