SCHEMBL21179386

SCHEMBL21179386

O=C(O)c1oc(Cc2ccc3ncc(Cl)cc3c2)nc1C(F)F

nearest known ligand 0.46

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 20/20 0.46
MAP4K1 Q92918 11/20 0.40

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
SCHEMBL21177604 0.88 KLKB1 (0.47) KLKB1MAP4K1
SCHEMBL21179387 0.86 KLKB1 (0.46) KLKB1MAP4K1
SCHEMBL21177282 0.84 KLKB1 (0.55) KLKB1MAP4K1
SCHEMBL21177143 0.84 KLKB1 (0.47) KLKB1MAP4K1
SCHEMBL19780040 0.83 KLKB1 (0.46) KLKB1MAP4K1
SCHEMBL21177310 0.82 KLKB1 (0.32) KLKB1MAP4K1
SCHEMBL19779898 0.81 KLKB1 (0.63) KLKB1MAP4K1
SCHEMBL21177606 0.81 KLKB1 (0.46) KLKB1MAP4K1
SCHEMBL21190289 0.81 KLKB1 (0.56) KLKB1MAP4K1
SCHEMBL21177773 0.80 KLKB1 (0.47) 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 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