SCHEMBL28501979

SCHEMBL28501979

CC=CS(=O)(=O)Nc1cccc(-c2c(Cl)cc(C(N)=O)c3[nH]c(C)c(C)c23)c1

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BTK Q06187 19/20 0.59
JAK3 P52333 2/20 0.46
JAK2 O60674 1/20 0.42
TEC P42680 1/20 0.42
TXK P42681 1/20 0.42
BMX P51813 1/20 0.42
ITK Q08881 1/20 0.42
ERBB4 Q15303 1/20 0.42

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
SCHEMBL29782478 1.00 BTK (0.59) BTKJAK3JAK2TECTXK
SCHEMBL29782782 0.89 BTK (0.59) BTKJAK3
SCHEMBL28513619 0.89 BTK (0.59) BTKJAK3
SCHEMBL17699754 0.87 BTK (0.64) BTKJAK3JAK2TECTXK
SCHEMBL28494476 0.84 BTK (0.81) BTKJAK3JAK2TECTXK
SCHEMBL28375333 0.78 BTK (0.85) BTKJAK2
SCHEMBL17699758 0.76 BTK (0.66) BTK
SCHEMBL17699587 0.76 BTK (0.64) BTK
SCHEMBL17699756 0.74 BTK (1.00) BTK
SCHEMBL17699647 0.74 BTK (1.00) BTKJAK3JAK2TECTXK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107108583-B Indole carboxamide compounds useful as kinase inhibitors 百时美施贵宝公司 2020-11-13 CN claimed
CN-110511209-B Indole carboxamide compounds useful as kinase inhibitors 百时美施贵宝公司 2022-07-05 CN disclosed
CN-107108583-B Indole carboxamide compounds useful as kinase inhibitors 百时美施贵宝公司 2020-11-13 CN disclosed