SCHEMBL30833738

SCHEMBL30833738

CNS(=O)(=O)c1ccccc1Nc1nc(Nc2ccc3cn[nH]c3c2)ncc1Cl

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 10/20 0.63
MET P08581 3/20 0.63
INSR P06213 2/20 0.63
MAPK1 P28482 2/20 0.63
PTK2 Q05397 2/20 0.63
CDC7 O00311 1/20 0.63
PLK4 O00444 1/20 0.63
CHEK1 O14757 1/20 0.63
AURKA O14965 1/20 0.63
DCLK1 O15075 1/20 0.63
MAPK13 O15264 1/20 0.63
PDPK1 O15530 1/20 0.63
DYRK3 O43781 1/20 0.63
JAK2 O60674 1/20 0.63
ROCK2 O75116 1/20 0.63
RPS6KA5 O75582 1/20 0.63
PRKD3 O94806 1/20 0.63
MAP4K4 O95819 1/20 0.63
PAK4 O96013 1/20 0.63
CHEK2 O96017 1/20 0.63

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
SCHEMBL29805794 0.81 EGFR (0.59) ALKINSRPTK2EGFRIGF1R
SCHEMBL23534120 0.81 EGFR (0.59) ALKINSRPTK2EGFRIGF1R
SCHEMBL2592094 0.81 ALK (0.67) ALKMETINSRMAPK1PTK2
SCHEMBL25304543 0.80 PTK2 (0.66) ALKMETINSRMAPK1PTK2
SCHEMBL29190614 0.80 ALK (0.51) ALKMETINSRMAPK1PTK2
SCHEMBL30833788 0.80 ALK (0.51) ALKMETINSRMAPK1PTK2
SCHEMBL12570609 0.80 ALK (0.67) ALKMETINSRMAPK1PTK2
SCHEMBL25299781 0.79 PTK2 (0.65) ALKMETINSRMAPK1PTK2
SCHEMBL19601638 0.79 ALK (0.65) ALKMETINSRMAPK1PTK2
SCHEMBL886537 0.78 INSR (0.71) ALKMETINSRMAPK1PTK2

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-113896744-B Selective EGFR inhibitor 成都先导药物开发股份有限公司 2024-04-16 CN disclosed