SCHEMBL21180324

SCHEMBL21180324

Nc1nccc2cc(CNC(=O)c3cn(Cc4ccc5ncc(Cl)cc5c4)nc3C(F)F)ccc12

nearest known ligand 0.74

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ KLKB1 P03952 20/20 0.74

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
SCHEMBL21177966 0.90 KLKB1 (0.71) KLKB1
SCHEMBL19780081 0.86 KLKB1 (0.74) KLKB1
SCHEMBL21177369 0.81 KLKB1 (0.76) KLKB1
SCHEMBL19780427 0.81 KLKB1 (0.65) KLKB1
SCHEMBL21177560 0.80 KLKB1 (0.71) KLKB1
SCHEMBL18752182 0.80 KLKB1 (0.80) KLKB1
SCHEMBL21178100 0.79 KLKB1 (0.60) KLKB1
SCHEMBL20531617 0.79 KLKB1 (0.46) KLKB1
SCHEMBL21179459 0.79 KLKB1 (0.60) KLKB1
SCHEMBL20531560 0.78 KLKB1 (0.47) 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 claimed
WO-2019142053-A2 THERAPEUTIC INHIBITORY COMPOUNDS LIFESCI PHARMACEUTICALS, INC. (BB) 2019-07-25 — — WO disclosed
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