SCHEMBL29722091

SCHEMBL29722091

COc1cc(F)c2cc[nH]c2n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 3/20 0.38
DYRK1A Q13627 3/20 0.38
CLK2 P49760 2/20 0.38
CLK4 Q9HAZ1 2/20 0.38
DYRK1B Q9Y463 2/20 0.38
CLK1 P49759 1/20 0.38
CLK3 P49761 1/20 0.38
CDK5 Q00535 1/20 0.38
CDK5R1 Q15078 1/20 0.38
BRD4 O60885 3/20 0.36
AURKA O14965 1/20 0.36
DAPK3 O43293 1/20 0.36
JAK2 O60674 1/20 0.36
PRKD3 O94806 1/20 0.36
MAP4K4 O95819 1/20 0.36
PAK4 O96013 1/20 0.36
NTRK1 P04629 1/20 0.36
CSF1R P07333 1/20 0.36
RET P07949 1/20 0.36
IGF1R P08069 1/20 0.36

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
SCHEMBL23147607 1.00 TRPA1 (0.38) TRPA1DYRK1ACLK2CLK4DYRK1B
SCHEMBL16612853 0.81 BRD4 (0.43) DYRK1ACLK2CLK4DYRK1BCLK1
SCHEMBL3360828 0.79 PRKCI (0.44) DYRK1ACLK2CLK4DYRK1BCLK1
SCHEMBL23148049 0.79 AXL (0.44) DYRK1ACLK2CLK4DYRK1BCLK1
SCHEMBL29954439 0.79 ALDH1A1 (0.38) DYRK1ACLK2CLK4DYRK1BCLK1
SCHEMBL23147846 0.76 TGFBR1 (0.39) TRPA1DYRK1ACLK2CLK4DYRK1B
SCHEMBL29722110 0.76 TGFBR1 (0.39) TRPA1DYRK1ACLK2CLK4DYRK1B
SCHEMBL23147921 0.74 BRD4 (0.43) TRPA1DYRK1ABRD4NTRK1IGF1R
SCHEMBL29721888 0.74 BRD4 (0.43) TRPA1DYRK1ABRD4NTRK1IGF1R
SCHEMBL23147958 0.73 TGFBR1 (0.41) TRPA1DYRK1ACLK2CLK4DYRK1B

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
EP-4034108-A1 AZAINDOLE CARBOXAMIDE COMPOUNDS FOR THE TREATMENT OF MYCOBACTERIAL INFECTIONS The Global Alliance for TB Drug Development, Inc. (US) 2022-08-03 EP disclosed
CN-114746090-A Azaindole carboxamide compounds for the treatment of mycobacterial infections 结核病药物开发全球联盟公司 2022-07-12 CN disclosed