SCHEMBL25028720

SCHEMBL25028720

COc1cc2nccc(Oc3c(F)cc(N)c(Cl)c3O)c2cc1C(N)=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 10/20 0.52
▸ MET P08581 6/20 0.52
▸ TEK Q02763 6/20 0.52
▸ AURKB Q96GD4 5/20 0.52
▸ AURKA O14965 4/20 0.52
▸ PDGFRB P09619 3/20 0.51
▸ PDGFRA P16234 3/20 0.51
▸ AXL P30530 2/20 0.48
▸ ABL1 P00519 2/20 0.48
▸ RET P07949 2/20 0.48
▸ KIT P10721 2/20 0.48
▸ FGFR1 P11362 2/20 0.48
▸ FLT1 P17948 2/20 0.48
▸ FLT4 P35916 2/20 0.48
▸ RIPK2 O43353 1/20 0.48
▸ ERN1 O75460 1/20 0.48
▸ STK10 O94804 1/20 0.48
▸ MAP3K6 O95382 1/20 0.48
▸ ESR1 P03372 1/20 0.48
▸ ADORA3 P0DMS8 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
SCHEMBL25028733 0.91 KDR (0.52) KDRMETTEKAURKBAURKA
SCHEMBL25028717 0.91 PDGFRB (0.54) KDRMETTEKAURKBAURKA
SCHEMBL25029467 0.88 PDGFRB (0.49) KDRMETTEKAURKBAURKA
SCHEMBL27104765 0.88 PDGFRB (0.49) KDRMETTEKAURKBAURKA
SCHEMBL25029458 0.87 PDGFRB (0.51) KDRMETTEKAURKBAURKA
SCHEMBL25028726 0.86 KDR (0.55) KDRMETTEKAURKBAURKA
SCHEMBL25029466 0.86 PDGFRB (0.48) KDRMETTEKAURKBAURKA
SCHEMBL27104764 0.86 PDGFRB (0.53) KDRMETTEKAURKBAURKA
SCHEMBL25028718 0.85 PDGFRB (0.54) KDRMETTEKAURKBAURKA
SCHEMBL25028724 0.85 KDR (0.54) KDRMETTEKAURKBAURKA

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
WO-2023016540-A1 UREA MULTI-TARGET TYROSINE KINASE INHIBITOR AND MEDICAL USE THEREOF 上海爱博医药科技有限公司 2023-02-16 — — WO disclosed
WO-2023016543-A1 UREA MULTI-TARGET TYROSINE KINASE INHIBITOR AND MULTIPLE MEDICAL APPLICATIONS THEREOF 上海爱博医药科技有限公司 2023-02-16 — — WO disclosed
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