SCHEMBL29073410

SCHEMBL29073410

CNC(=O)c1cc2c(Oc3ncc(N)cn3)ccnc2cc1OC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 9/20 0.56
▸ MET P08581 8/20 0.56
▸ AURKB Q96GD4 6/20 0.56
▸ AURKA O14965 5/20 0.56
▸ TEK Q02763 5/20 0.56
▸ LCK P06239 2/20 0.56
▸ AXL P30530 4/20 0.54
▸ MERTK Q12866 1/20 0.54
▸ RET P07949 3/20 0.48
▸ PDGFRB P09619 2/20 0.48
▸ FGFR1 P11362 2/20 0.48
▸ FLT1 P17948 2/20 0.48
▸ FGFR2 P21802 2/20 0.48
▸ FLT4 P35916 2/20 0.48
▸ PDXK O00764 1/20 0.48
▸ RIPK2 O43353 1/20 0.48
▸ LYN P07948 1/20 0.48
▸ FGFR3 P22607 1/20 0.48
▸ DDR1 Q08345 1/20 0.48
▸ DDR2 Q16832 1/20 0.48

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
SCHEMBL1890635 0.86 AXL (0.65) KDRMETAURKBAURKATEK
SCHEMBL29558136 0.86 AXL (0.65) KDRMETAURKBAURKATEK
SCHEMBL29073430 0.85 KDR (0.52) KDRMETAURKBAURKATEK
SCHEMBL29073385 0.83 AXL (0.59) KDRMETAURKBAURKATEK
SCHEMBL21753513 0.82 PDGFRB (0.59) KDRPDGFRBFGFR2PDGFRASRC
SCHEMBL30106512 0.82 PDGFRB (0.59) KDRPDGFRBFGFR2PDGFRASRC
SCHEMBL1132601 0.82 AXL (0.60) KDRMETAURKBAURKATEK
SCHEMBL29487165 0.82 AXL (0.60) KDRMETAURKBAURKATEK
SCHEMBL1132368 0.82 AXL (0.51) KDRMETAURKBAURKATEK
SCHEMBL1132598 0.79 AXL (0.62) KDRMETAURKBAURKATEK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116783166-B Dicarboxamide compound, preparation method and medical application thereof 江苏恒瑞医药股份有限公司 2025-01-14 — — CN disclosed
CN-116783166-A Dicarboxamide compound, preparation method and medical application thereof 江苏恒瑞医药股份有限公司 2023-09-19 — — CN disclosed
WO-2022161447-A1 DICARBOXAMIDE COMPOUND, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL USE THEREOF 江苏恒瑞医药股份有限公司 2022-08-04 — — WO disclosed
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