SCHEMBL23409130

SCHEMBL23409130

N=C(c1ccc(Oc2ccccc2)cc1)c1c(N)ncnc1NC1CCNC1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BTK Q06187 17/20 0.52
LCK P06239 1/20 0.42
SRC P12931 1/20 0.42
RPS6KB1 P23443 1/20 0.42
KCNH2 Q12809 1/20 0.41
CHEK1 O14757 1/20 0.41
EGFR P00533 1/20 0.40

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
SCHEMBL18809943 0.94 BTK (0.52) BTKRPS6KB1KCNH2CHEK1EGFR
SCHEMBL19257841 0.94 BTK (0.52) BTKRPS6KB1KCNH2CHEK1EGFR
SCHEMBL22737476 0.94 BTK (0.56) BTKLCKSRC
SCHEMBL23223089 0.93 BTK (0.51) BTKRPS6KB1KCNH2CHEK1EGFR
SCHEMBL22909562 0.92 BTK (0.53) BTKKCNH2
SCHEMBL20881645 0.86 BTK (0.50) BTKKCNH2
SCHEMBL24041268 0.86 BTK (0.58) BTKKCNH2EGFR
SCHEMBL25472788 0.85 BTK (0.56) BTKLCKSRCEGFR
SCHEMBL25468816 0.85 BTK (0.47) BTKRPS6KB1
SCHEMBL22737427 0.84 BTK (0.57) BTKLCKSRCEGFR

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-2021099842-A1 PENTAFLUOROBENZENESULFONAMIDE DERIVATIVES AND USES THEREOF 2692372 ONTARIO INC. (CA) 2021-05-27 WO disclosed