SCHEMBL29975745

SCHEMBL29975745

Cc1[nH]nc2c1CC[C@H]2NC(=O)c1cnn(Cc2ccc(N3CC4CC4C3)nc2C(F)(F)F)c1

nearest known ligand 0.82

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 18/20 0.82
BTK Q06187 2/20 0.69

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
SCHEMBL23773015 1.00 KLKB1 (0.82) KLKB1BTK
SCHEMBL22166247 0.90 KLKB1 (1.00) KLKB1
SCHEMBL23773005 0.89 KLKB1 (1.00) KLKB1
SCHEMBL31741471 0.87 KLKB1 (0.82) KLKB1
SCHEMBL21713008 0.87 KLKB1 (0.93) KLKB1
SCHEMBL31741470 0.87 KLKB1 (0.93) KLKB1
SCHEMBL21712917 0.87 KLKB1 (0.93) KLKB1
SCHEMBL21712957 0.86 KLKB1 (0.91) KLKB1
SCHEMBL23773013 0.86 KLKB1 (0.72) KLKB1BTK
SCHEMBL21713120 0.85 KLKB1 (0.82) 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-115087652-B Heteroaromatic carboxamide derivatives as inhibitors of plasma kallikrein 勃林格殷格翰国际有限公司 2024-05-07 CN disclosed
CN-115087652-A Heteroaromatic carboxamide derivatives as plasma kallikrein inhibitors 勃林格殷格翰国际有限公司 2022-09-20 CN disclosed