SCHEMBL23769737

SCHEMBL23769737

Cc1nc(N2CC(C)C(F)(F)C2)ncc1Cn1cc(C(=O)N[C@@H]2CCc3c2ncn3C)cn1

nearest known ligand 0.56

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 20/20 0.56

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
SCHEMBL23769736 0.89 KLKB1 (0.58) KLKB1
SCHEMBL29906589 0.89 KLKB1 (0.58) KLKB1
SCHEMBL23769485 0.88 KLKB1 (0.59) KLKB1
SCHEMBL23769461 0.88 KLKB1 (0.58) KLKB1
SCHEMBL23769671 0.87 KLKB1 (0.65) KLKB1
SCHEMBL23769489 0.87 KLKB1 (0.59) KLKB1
SCHEMBL23769482 0.87 KLKB1 (0.57) KLKB1
SCHEMBL23769521 0.87 KLKB1 (0.70) KLKB1
SCHEMBL23843073 0.86 KLKB1 (0.56) KLKB1
SCHEMBL23769674 0.86 KLKB1 (0.59) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021160718-A1 HETEROAROMATIC CARBOXAMIDE DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2021-08-19 WO disclosed