SCHEMBL16246867

SCHEMBL16246867

CCCOc1ccc(Cn2cc(C(=O)NCc3ccc4c(N)nccc4c3)c(C(F)(F)F)n2)cn1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ KLKB1 P03952 20/20 1.00

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
SCHEMBL18725221 0.88 KLKB1 (0.79) KLKB1
SCHEMBL16246870 0.87 KLKB1 (0.77) KLKB1
SCHEMBL16246866 0.84 KLKB1 (0.73) KLKB1
SCHEMBL17693890 0.83 KLKB1 (1.00) KLKB1
SCHEMBL17786917 0.82 KLKB1 (0.84) KLKB1
SCHEMBL18725212 0.82 KLKB1 (0.78) KLKB1
SCHEMBL17786821 0.82 KLKB1 (0.88) KLKB1
SCHEMBL18752339 0.80 KLKB1 (0.70) KLKB1
SCHEMBL17696418 0.80 KLKB1 (1.00) KLKB1
SCHEMBL17696419 0.78 KLKB1 (1.00) KLKB1

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
EP-2999697-A1 HETEROCYCLIC DERIVATES Kalvista Pharmaceuticals Limited (GB) 2016-03-30 — — EP disclosed
WO-2014188211-A1 HETEROCYCLIC DERIVATES KALVISTA PHARMACEUTICALS LIMITED (GB) 2014-11-27 — — WO disclosed
Send feedback