SCHEMBL17787218

SCHEMBL17787218

COc1c(CNC(=O)c2nc(C)n(Cc3cnc(N4CCC(F)(F)C4)nc3)n2)ccc2c(N)nccc12

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ KLKB1 P03952 16/20 0.42
▸ KLK1 P06870 6/20 0.42
▸ F11 P03951 2/20 0.41
▸ CACNA1H O95180 1/20 0.34
▸ RET P07949 1/20 0.34
▸ F9 P00740 2/20 0.33
▸ F10 P00742 2/20 0.33

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
SCHEMBL17787059 0.92 KLKB1 (0.44) KLKB1KLK1F11CACNA1H
SCHEMBL17787083 0.91 KLKB1 (0.44) KLKB1KLK1F11CACNA1H
SCHEMBL17787154 0.91 KLKB1 (0.43) KLKB1KLK1F11CACNA1H
SCHEMBL17787124 0.89 KLKB1 (0.46) KLKB1KLK1F11
SCHEMBL17787125 0.87 KLKB1 (0.45) KLKB1KLK1F11F9F10
SCHEMBL17786857 0.86 KLKB1 (0.42) KLKB1KLK1F11CACNA1H
SCHEMBL17786912 0.85 KLKB1 (0.46) KLKB1KLK1F11F9F10
SCHEMBL17786797 0.85 KLKB1 (0.45) KLKB1KLK1F11CACNA1HRET
SCHEMBL17787140 0.85 KLKB1 (0.46) KLKB1KLK1F11CACNA1HF9
SCHEMBL17787189 0.82 KLKB1 (0.61) 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 1 patent. 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
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