SCHEMBL29782413

SCHEMBL29782413

C=CC(=O)Nc1cccc(-c2ccc(C(N)=O)c3[nH]c(C)c(C)c23)c1C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BTK Q06187 20/20 1.00
TEC P42680 2/20 1.00
TXK P42681 2/20 1.00
BMX P51813 2/20 1.00
JAK3 P52333 2/20 1.00
ITK Q08881 2/20 1.00
ERBB4 Q15303 2/20 1.00
JAK2 O60674 1/20 0.73

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
SCHEMBL17699673 1.00 BTK (1.00) BTKTECTXKBMXJAK3
SCHEMBL28165085 0.90 BTK (0.81) BTKTECTXKBMXJAK3
SCHEMBL29782622 0.89 BTK (1.00) BTKTECTXKBMXJAK3
SCHEMBL17699831 0.89 BTK (1.00) BTKTECTXKBMXJAK3
SCHEMBL29782585 0.89 BTK (1.00) BTKTECTXKBMXJAK3
SCHEMBL17699624 0.89 BTK (1.00) BTKTECTXKBMXJAK3
SCHEMBL17699625 0.89 BTK (1.00) BTKTECTXKBMXJAK3
SCHEMBL17699971 0.86 BTK (1.00) BTKTECTXKBMXJAK3
SCHEMBL29782533 0.86 BTK (1.00) BTKTECTXKBMXJAK3
SCHEMBL29782644 0.85 BTK (1.00) BTKTECTXKBMXJAK3

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
CN-110511209-B Indole carboxamide compounds useful as kinase inhibitors 百时美施贵宝公司 2022-07-05 CN disclosed