SCHEMBL22993470

SCHEMBL22993470

COc1ccc(N(N)/C=C(/C)N)c(CNC(=O)c2ccc(=O)n(Cc3ccc4c(c3)CN(C)CC4)c2)c1F

nearest known ligand 0.57

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ KLKB1 P03952 8/20 0.57
▸ F11 P03951 11/20 0.51
▸ ROCK2 O75116 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44

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
SCHEMBL22993392 0.91 KLKB1 (0.67) KLKB1F11ROCK2CYP3A4
SCHEMBL22993230 0.83 F11 (0.47) KLKB1F11ROCK2CYP3A4
SCHEMBL22993477 0.83 F11 (0.70) KLKB1F11
SCHEMBL22982053 0.81 KLKB1 (0.85) KLKB1F11
SCHEMBL29407031 0.81 KLKB1 (0.85) KLKB1F11
SCHEMBL22993383 0.76 F11 (0.69) KLKB1F11
SCHEMBL22993231 0.74 F11 (0.40) KLKB1F11ROCK2CYP3A4
SCHEMBL22993335 0.74 SMN1; SMN2 (0.47) KLKB1F11ROCK2CYP3A4
SCHEMBL22993391 0.73 KLKB1 (1.00) KLKB1F11
SCHEMBL22993499 0.72 F11 (0.56) KLKB1F11

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-2021028649-A1 PLASMA KALLIKREIN INHIBITORS KALVISTA PHARMACEUTICALS LIMITED (GB) 2021-02-18 — — WO disclosed
WO-2021028645-A1 PLASMA KALLIKREIN INHIBITORS KALVISTA PHARMACEUTICALS LIMITED (GB) 2021-02-18 — — WO disclosed
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