SCHEMBL21177291

SCHEMBL21177291

Cc1cc(N)nc(C)c1CNC(=O)c1oc(Cc2cc(F)c3ncc(Cl)cc3c2)nc1C(F)F

nearest known ligand 0.47

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 20/20 0.47
MAP4K1 Q92918 1/20 0.42

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
SCHEMBL21179363 0.93 KLKB1 (0.47) KLKB1MAP4K1
SCHEMBL21177304 0.91 KLKB1 (0.50) KLKB1MAP4K1
SCHEMBL21177592 0.89 KLKB1 (0.48) KLKB1MAP4K1
SCHEMBL21177749 0.89 KLKB1 (0.48) KLKB1MAP4K1
SCHEMBL21179350 0.87 KLKB1 (0.60) KLKB1MAP4K1
SCHEMBL21179364 0.87 KLKB1 (0.48) KLKB1MAP4K1
SCHEMBL21177287 0.87 KLKB1 (0.47) KLKB1MAP4K1
SCHEMBL21177288 0.87 KLKB1 (0.63) KLKB1MAP4K1
SCHEMBL21177169 0.86 KLKB1 (0.51) KLKB1MAP4K1
SCHEMBL19780121 0.84 KLKB1 (0.63) KLKB1

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