Sugi Predict

Sugi Predict / Compounds / SCHEMBL23769669

SCHEMBL23769669

SCHEMBL23769669

Cc1nc(N2C[C@H]3C[C@@H]4C[C@@H](C2)[C@@H]43)ncc1Cn1cc(C(=O)N[C@@H]2CCc3c2ncn3C)cn1

nearest known ligand 0.66

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ KLKB1 P03952 16/20 0.66
▸ BTK Q06187 4/20 0.47

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
SCHEMBL23769521 0.96 KLKB1 (0.70) KLKB1BTK
SCHEMBL23769671 0.94 KLKB1 (0.65) KLKB1BTK
SCHEMBL23769673 0.92 KLKB1 (0.63) KLKB1BTK
SCHEMBL23769490 0.92 KLKB1 (0.64) KLKB1BTK
SCHEMBL23769486 0.92 KLKB1 (0.67) KLKB1BTK
SCHEMBL23843202 0.90 KLKB1 (0.61) KLKB1
SCHEMBL23843211 0.90 KLKB1 (0.60) KLKB1BTK
SCHEMBL23769674 0.89 KLKB1 (0.59) KLKB1
SCHEMBL23769485 0.89 KLKB1 (0.59) KLKB1
SCHEMBL23843168 0.89 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