SCHEMBL17786911

SCHEMBL17786911

COc1cc(CNC(=O)c2cn(Cc3cnc(N4CCC(F)(F)C4)nc3)c(C3CC3)n2)cc2ccnc(N)c12

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ KLKB1 P03952 16/20 0.47
▸ KLK1 P06870 3/20 0.42
▸ F11 P03951 2/20 0.41
▸ F9 P00740 3/20 0.37
▸ F10 P00742 3/20 0.37
▸ CACNA1G O43497 1/20 0.36
▸ CACNA1H O95180 1/20 0.36
▸ CACNA1I Q9P0X4 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
SCHEMBL17787027 0.91 KLKB1 (0.44) KLKB1KLK1F11CACNA1GCACNA1H
SCHEMBL17787139 0.90 KLKB1 (0.51) KLKB1KLK1F11
SCHEMBL17786898 0.88 KLKB1 (0.48) KLKB1KLK1F11F9F10
SCHEMBL17786846 0.83 KLKB1 (0.54) KLKB1KLK1
SCHEMBL17787088 0.83 KLKB1 (0.46) KLKB1KLK1F11F9F10
SCHEMBL17786804 0.83 KLKB1 (0.49) KLKB1KLK1F11F9F10
SCHEMBL17786899 0.82 KLKB1 (0.50) KLKB1KLK1F11F9F10
SCHEMBL17787195 0.81 KLKB1 (0.44) KLKB1KLK1F11CACNA1GCACNA1H
SCHEMBL17786992 0.81 KLKB1 (0.60) KLKB1F11
SCHEMBL17787141 0.81 KLKB1 (0.47) KLKB1KLK1F11CACNA1GCACNA1H

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-2016083816-A1 N-((HETEROARYLMETHYL)-HETEROARYL-CARBOXAMIDE DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS KALVISTA PHARMACEUTICALS LIMITED (GB) 2016-06-02 — — WO claimed
WO-2016083816-A1 N-((HETEROARYLMETHYL)-HETEROARYL-CARBOXAMIDE DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS KALVISTA PHARMACEUTICALS LIMITED (GB) 2016-06-02 — — WO disclosed
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