SCHEMBL23769348

SCHEMBL23769348

CC1CN(c2ccc(Cn3cc(C(=O)N[C@@H]4CCc5c4ncn5C)nn3)c(CO)n2)CC1(F)F

nearest known ligand 0.46

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 12/20 0.46
BTK Q06187 8/20 0.42

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
SCHEMBL23754106 0.90 KLKB1 (0.54) KLKB1BTK
SCHEMBL23769611 0.88 KLKB1 (0.56) KLKB1BTK
SCHEMBL23769443 0.87 KLKB1 (0.56) KLKB1BTK
SCHEMBL23769724 0.84 KLKB1 (0.54) KLKB1BTK
SCHEMBL23769598 0.84 KLKB1 (0.52) KLKB1BTK
SCHEMBL23769505 0.82 KLKB1 (0.56) KLKB1BTK
SCHEMBL23768930 0.81 KLKB1 (0.56) KLKB1BTK
SCHEMBL23769559 0.81 KLKB1 (0.56) KLKB1BTK
SCHEMBL23769553 0.81 KLKB1 (0.55) KLKB1BTK
SCHEMBL23769596 0.81 KLKB1 (0.59) 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
WO-2021160718-A1 HETEROAROMATIC CARBOXAMIDE DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2021-08-19 WO disclosed