SCHEMBL30140673

SCHEMBL30140673

Cc1nc(N2CC3C(C2)C3(F)F)ncc1CN=[N+]=[N-]

nearest known ligand 0.36

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 1/20 0.36
NR1H2 P55055 1/20 0.30

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
SCHEMBL21747131 1.00 KLKB1 (0.36) KLKB1NR1H2
SCHEMBL21747035 0.84 KLKB1 (0.36) KLKB1
SCHEMBL30140677 0.84 KLKB1 (0.36) KLKB1
SCHEMBL21712938 0.80 NR1H2 (0.45) KLKB1NR1H2
SCHEMBL21736645 0.80 NR1H2 (0.45) KLKB1NR1H2
SCHEMBL26307833 0.76 KLKB1 (0.30) KLKB1
SCHEMBL21736662 0.70 KLKB1 (0.47) KLKB1
SCHEMBL21712913 0.68 KLKB1 (0.47) KLKB1
SCHEMBL21736635 0.68 KLKB1 (0.45) KLKB1
SCHEMBL23469646 0.68 KLKB1 (0.47) 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
CN-113039181-B Heteroaromatic carboxamide derivatives as inhibitors of plasma kallikrein 勃林格殷格翰国际有限公司 2024-08-13 CN disclosed
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