SCHEMBL28374309

SCHEMBL28374309

C=C(C)C(=O)Nc1cccc(-c2ccc(C(N)=O)c3[nH]c4c(c23)CCC(CO)C4)c1C

nearest known ligand 0.81

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BTK Q06187 20/20 0.81
JAK2 O60674 1/20 0.61
LCK P06239 1/20 0.61
TEC P42680 1/20 0.61
TXK P42681 1/20 0.61
BMX P51813 1/20 0.61
JAK3 P52333 1/20 0.61
ITK Q08881 1/20 0.61
ERBB4 Q15303 1/20 0.61

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
SCHEMBL19279274 0.89 BTK (1.00) BTKJAK2LCKTECTXK
SCHEMBL28885851 0.86 BTK (1.00) BTKJAK2LCKTECTXK
SCHEMBL148544 0.81 BTK (0.69) BTKJAK2LCKTECTXK
SCHEMBL19715353 0.79 BTK (1.00) BTKJAK2LCKTECTXK
SCHEMBL28377166 0.78 BTK (0.85) BTKJAK2LCKTECTXK
SCHEMBL19279166 0.78 BTK (1.00) BTKJAK2LCKTECTXK
SCHEMBL29782533 0.78 BTK (1.00) BTKJAK2TECTXKBMX
SCHEMBL17699971 0.78 BTK (1.00) BTKJAK2TECTXKBMX
SCHEMBL19279029 0.78 BTK (1.00) BTKJAK2LCKTECTXK
SCHEMBL19715451 0.78 BTK (1.00) BTKJAK2LCKTECTXK

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
CN-107074804-B Carbazole derivatives 百时美施贵宝公司 2020-02-18 CN claimed
CN-107074804-B Carbazole derivatives 百时美施贵宝公司 2020-02-18 CN disclosed