SCHEMBL29906552

SCHEMBL29906552

CCOC(=O)c1cn(Cc2ccc(N3CC4C(C3)C4(F)F)cc2C#N)cn1

nearest known ligand 0.62

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 5/20 0.62
NOTUM Q6P988 1/20 0.39
CYP11B2 P19099 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL23754350 1.00 KLKB1 (0.62) KLKB1NOTUMCYP11B2MAPT
SCHEMBL23754054 0.89 KLKB1 (0.60) KLKB1NOTUM
SCHEMBL23754015 0.88 KLKB1 (0.48) KLKB1NOTUM
SCHEMBL23843175 0.87 KLKB1 (0.65) KLKB1
SCHEMBL23754079 0.87 KLKB1 (0.65) KLKB1
SCHEMBL23754039 0.87 KLKB1 (0.47) KLKB1NOTUMMAPT
SCHEMBL23754014 0.87 NOTUM (0.49) KLKB1NOTUMMAPT
SCHEMBL23769720 0.84 KLKB1 (0.49) KLKB1NOTUMMAPT
SCHEMBL23754078 0.81 KLKB1 (0.46) KLKB1
SCHEMBL29906544 0.81 KLKB1 (0.46) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116120287-B Heteroaromatic carboxamide derivatives as inhibitors of plasma kallikrein 勃林格殷格翰国际有限公司 2025-01-28 CN disclosed
CN-116120287-A Heteroaromatic carboxamide derivatives as inhibitors of plasma kallikrein 勃林格殷格翰国际有限公司 2023-05-16 CN disclosed
EP-4103562-A1 HETEROAROMATIC CARBOXAMIDE DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS Boehringer Ingelheim International GmbH (DE) 2022-12-21 EP disclosed
CN-115052873-A Heteroaromatic carboxamide derivatives as plasma kallikrein inhibitors 勃林格殷格翰国际有限公司 2022-09-13 CN disclosed