SCHEMBL22993231

SCHEMBL22993231

COc1ccc(N(N)/C=C(/C)N)c(CNC(=O)c2cncc(Cc3ccc4c(c3)CN(C(=O)OC(C)(C)C)CC4)c2)c1F

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ F11 P03951 10/20 0.40
▸ KLKB1 P03952 7/20 0.40
▸ NR1H2 P55055 1/20 0.38
▸ LMNA P02545 1/20 0.36
▸ ROCK2 O75116 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36

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
SCHEMBL22993230 0.90 F11 (0.47) F11KLKB1ROCK2CYP3A4
SCHEMBL22993229 0.82 KLKB1 (0.61) F11KLKB1
SCHEMBL29388690 0.82 KLKB1 (0.61) F11KLKB1
SCHEMBL22993102 0.77 F11 (0.57) F11KLKB1
SCHEMBL29390120 0.75 NR1H2 (0.53) NR1H2
SCHEMBL22982263 0.75 NR1H2 (0.53) NR1H2
SCHEMBL22993392 0.75 KLKB1 (0.67) F11KLKB1ROCK2CYP3A4
SCHEMBL22993470 0.74 KLKB1 (0.57) F11KLKB1ROCK2CYP3A4
SCHEMBL22981212 0.74 NR1H2 (0.54) NR1H2
SCHEMBL29388827 0.74 NR1H2 (0.54) NR1H2

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
Send feedback