SCHEMBL28055902

SCHEMBL28055902

C=CC(=O)Nc1cccc(-c2ccc(C(N)=O)c3[nH]c(OCC)cc23)c1

nearest known ligand 0.66

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BTK Q06187 19/20 0.66
ITK Q08881 1/20 0.47
JAK2 O60674 1/20 0.47
JAK3 P52333 1/20 0.47

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
SCHEMBL16336723 0.88 BTK (0.68) BTK
SCHEMBL16336932 0.87 BTK (0.62) BTK
SCHEMBL16336353 0.86 BTK (0.71) BTK
SCHEMBL16338185 0.84 BTK (0.71) BTKJAK3
SCHEMBL16336468 0.83 BTK (0.67) BTK
SCHEMBL28055955 0.80 BTK (0.45) BTK
SCHEMBL16336935 0.80 BTK (1.00) BTK
SCHEMBL16334895 0.78 BTK (0.71) BTKJAK3
SCHEMBL29782625 0.77 BTK (1.00) BTKITKJAK2JAK3
SCHEMBL17699522 0.77 BTK (1.00) BTKITKJAK2JAK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105530932-B Primary formamide as BTK inhibitor 艾伯维公司 2019-09-27 CN claimed
CN-105530932-A Primary carboxamides as BIK inhibitors ABBVIE INC 2016-04-27 CN claimed
CN-105530932-B Primary formamide as BTK inhibitor 艾伯维公司 2019-09-27 CN disclosed
CN-105530932-A Primary carboxamides as BIK inhibitors ABBVIE INC 2016-04-27 CN disclosed