SCHEMBL20998618

SCHEMBL20998618

C[C@H]1CN(C(=O)/C(C#N)=C/C2CC2)CCN1c1ncc(C(N)=O)c(Oc2ccc(Oc3ccccc3)cc2)n1

nearest known ligand 0.45

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
BTK Q06187 20/20 0.45

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
SCHEMBL20998499 0.93 BTK (0.42) BTK
SCHEMBL20998503 0.88 BTK (0.50) BTK
SCHEMBL18069720 0.84 BTK (0.43) BTK
SCHEMBL16676743 0.84 BTK (0.43) BTK
SCHEMBL18044932 0.82 BTK (0.51) BTK
SCHEMBL18044934 0.82 BTK (0.51) BTK
SCHEMBL16670714 0.82 BTK (0.57) BTK
SCHEMBL18070180 0.78 BTK (0.42) BTK
SCHEMBL16676741 0.78 BTK (0.42) BTK
SCHEMBL18044938 0.76 BTK (0.54) BTK

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-3060550-B1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2019-05-15 EP disclosed