SCHEMBL22909562

SCHEMBL22909562

N=C(c1ccc(Oc2ccccc2)cc1)c1c(N)ncnc1NC1CNC1

nearest known ligand 0.53

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
BTK Q06187 20/20 0.53
KCNH2 Q12809 2/20 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
SCHEMBL20881645 0.92 BTK (0.50) BTKKCNH2
SCHEMBL23409130 0.92 BTK (0.52) BTKKCNH2
SCHEMBL18809943 0.90 BTK (0.52) BTKKCNH2
SCHEMBL19257841 0.90 BTK (0.52) BTKKCNH2
SCHEMBL22737476 0.90 BTK (0.56) BTK
SCHEMBL23223089 0.89 BTK (0.51) BTKKCNH2
SCHEMBL22737427 0.88 BTK (0.57) BTK
SCHEMBL24041268 0.87 BTK (0.58) BTKKCNH2
SCHEMBL19649132 0.85 BTK (0.58) BTK
SCHEMBL24697773 0.85 BTK (0.52) BTKKCNH2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021099842-A1 PENTAFLUOROBENZENESULFONAMIDE DERIVATIVES AND USES THEREOF 2692372 ONTARIO INC. (CA) 2021-05-27 WO disclosed
WO-2021009568-A1 BENZENESULFONAMIDE DERIVATIVES AND USES THEREOF 2692372 ONTARIO, INC. (CA) 2021-01-21 WO disclosed