SCHEMBL30140706

SCHEMBL30140706

Cc1cc2c(c(N)n1)CC[C@H]2NC(=O)c1cn(Cc2cnc(N3CC4CC4C3)nc2C)nn1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 11/20 1.00
BTK Q06187 9/20 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
SCHEMBL23469534 1.00 KLKB1 (1.00) KLKB1BTK
SCHEMBL20540794 1.00 KLKB1 (1.00) KLKB1BTK
SCHEMBL30140750 0.91 KLKB1 (0.83) KLKB1BTK
SCHEMBL23469686 0.91 KLKB1 (0.83) KLKB1BTK
SCHEMBL20541010 0.90 KLKB1 (1.00) KLKB1BTK
SCHEMBL23469718 0.90 KLKB1 (1.00) KLKB1BTK
SCHEMBL30140726 0.90 KLKB1 (1.00) KLKB1BTK
SCHEMBL23469658 0.87 KLKB1 (1.00) KLKB1BTK
SCHEMBL23469565 0.87 KLKB1 (1.00) KLKB1BTK
SCHEMBL30140619 0.87 KLKB1 (1.00) 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
CN-110546146-B Heteroaryl carboxamide derivatives as plasma kallikrein inhibitors 勃林格殷格翰国际有限公司 2023-02-21 CN disclosed