SCHEMBL17786867

SCHEMBL17786867

Cc1cc2c(N)nccc2cc1CNC(=O)c1nc(C)n(Cc2cnc(N3CCCC3)nc2)n1

nearest known ligand 0.51

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ KLKB1 P03952 17/20 0.51
▸ PIK3CD O00329 3/20 0.43
▸ KLK1 P06870 5/20 0.42

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
SCHEMBL17787215 0.91 KLKB1 (0.48) KLKB1KLK1
SCHEMBL17787169 0.91 KLKB1 (0.56) KLKB1KLK1
SCHEMBL17787209 0.90 KLKB1 (0.47) KLKB1PIK3CDKLK1
SCHEMBL17786912 0.89 KLKB1 (0.46) KLKB1KLK1
SCHEMBL17787004 0.86 KLKB1 (0.48) KLKB1KLK1
SCHEMBL17786869 0.85 KLKB1 (0.48) KLKB1KLK1
SCHEMBL17786823 0.84 KLKB1 (0.51) KLKB1PIK3CDKLK1
SCHEMBL17787124 0.84 KLKB1 (0.46) KLKB1KLK1
SCHEMBL17787068 0.83 KLKB1 (0.55) KLKB1KLK1
SCHEMBL17787140 0.82 KLKB1 (0.46) KLKB1KLK1

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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