SCHEMBL23469719

SCHEMBL23469719

Cc1nc(N2CC3C(C2)C3(F)F)ncc1Cn1cc(C(=O)NC2CCc3c2ccnc3N)nn1

nearest known ligand 0.83

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 13/20 0.83
BTK Q06187 7/20 0.64

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
SCHEMBL30140735 1.00 KLKB1 (0.83) KLKB1BTK
SCHEMBL23469516 1.00 KLKB1 (0.83) KLKB1BTK
SCHEMBL30140726 0.91 KLKB1 (1.00) KLKB1BTK
SCHEMBL20541010 0.91 KLKB1 (1.00) KLKB1BTK
SCHEMBL23469718 0.91 KLKB1 (1.00) KLKB1BTK
SCHEMBL23469686 0.90 KLKB1 (0.83) KLKB1BTK
SCHEMBL30140750 0.90 KLKB1 (0.83) KLKB1BTK
SCHEMBL23469593 0.89 KLKB1 (0.83) KLKB1BTK
SCHEMBL23469594 0.89 KLKB1 (0.83) KLKB1BTK
SCHEMBL21747033 0.83 KLKB1 (0.58) KLKB1BTK

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
EP-3612523-B1 HETEROARYLCARBOXAMIDE DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2021-06-09 EP disclosed