SCHEMBL23774064

SCHEMBL23774064

COC(=O)c1cnn(Cc2cnc(N3CC4CC4C3)cc2C(F)(F)F)c1

nearest known ligand 0.60

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
BTK Q06187 12/20 0.60
KLKB1 P03952 8/20 0.41

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
SCHEMBL18815275 0.91 BTK (0.57) BTKKLKB1
SCHEMBL18818271 0.88 BTK (0.62) BTKKLKB1
SCHEMBL21953537 0.79 BTK (0.56) BTKKLKB1
SCHEMBL23774008 0.79 BTK (0.56) BTKKLKB1
SCHEMBL23768970 0.79 BTK (0.66) BTKKLKB1
SCHEMBL18816474 0.78 BTK (0.56) BTKKLKB1
SCHEMBL23753973 0.77 MAPT (0.45) BTK
SCHEMBL18795065 0.77 BTK (0.57) BTKKLKB1
SCHEMBL23469584 0.77 KLKB1 (0.59) BTKKLKB1
SCHEMBL23843083 0.76 BTK (0.47) BTKKLKB1

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
EP-3368524-B1 HETEROARYLCARBOXAMIDE DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2021-08-18 EP disclosed