SCHEMBL30140751

SCHEMBL30140751

COc1nn(Cc2ccc(N3CC4CC4C3)nc2C)cc1C(=O)N[C@@H]1CCc2c1ccnc2N

nearest known ligand 0.85

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 15/20 0.85
BTK Q06187 5/20 0.60

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
SCHEMBL23469692 1.00 KLKB1 (0.85) KLKB1BTK
SCHEMBL23469673 1.00 KLKB1 (0.85) KLKB1BTK
SCHEMBL23469530 0.92 KLKB1 (1.00) KLKB1BTK
SCHEMBL23469532 0.92 KLKB1 (1.00) KLKB1BTK
SCHEMBL23469517 0.89 KLKB1 (0.85) KLKB1BTK
SCHEMBL23469599 0.89 KLKB1 (0.85) KLKB1BTK
SCHEMBL23469676 0.88 KLKB1 (0.84) KLKB1BTK
SCHEMBL23469713 0.88 KLKB1 (1.00) KLKB1BTK
SCHEMBL23469704 0.88 KLKB1 (1.00) KLKB1BTK
SCHEMBL20540975 0.88 KLKB1 (0.84) 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