SCHEMBL28531632

SCHEMBL28531632

C=C(C(N)=O)c1cc(N2CCC(N(C)C)CC2)c(Cl)cc1Nc1ncc(C#N)c(NC2CC2)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FGFR1 P11362 2/20 0.47
▸ FGFR2 P21802 1/20 0.47
▸ FGFR4 P22455 1/20 0.47
▸ FGFR3 P22607 1/20 0.47
▸ PLK1 P53350 1/20 0.47
▸ SYK P43405 8/20 0.46
▸ EGFR P00533 5/20 0.46
▸ ALK Q9UM73 2/20 0.46
▸ CHEK1 O14757 1/20 0.43
▸ IKBKB O14920 1/20 0.43
▸ AURKA O14965 1/20 0.43
▸ MAP4K4 O95819 1/20 0.43
▸ PAK4 O96013 1/20 0.43
▸ CHEK2 O96017 1/20 0.43
▸ ABL1 P00519 1/20 0.43
▸ INSR P06213 1/20 0.43
▸ LCK P06239 1/20 0.43
▸ SELP P16109 1/20 0.43
▸ CSNK2A2 P19784 1/20 0.43
▸ CCNA2 P20248 1/20 0.43

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
SCHEMBL28953583 0.89 EGFR (0.49) FGFR1FGFR2FGFR4FGFR3PLK1
SCHEMBL28531630 0.85 MAPK3 (0.51) PLK1EGFRMAPK1JAK3
SCHEMBL28953581 0.85 SYK (0.49) FGFR1SYKALKAURKAMAP4K4
SCHEMBL28531544 0.84 PLK1 (0.51) FGFR1FGFR2FGFR4FGFR3PLK1
SCHEMBL28546192 0.83 PLK1 (0.57) FGFR1FGFR2FGFR4FGFR3PLK1
SCHEMBL21600938 0.82 EGFR (0.50) PLK1EGFRMAPK1JAK3
SCHEMBL21600984 0.78 EGFR (0.47) EGFRINSRMAPK1
SCHEMBL21600796 0.77 EGFR (0.52) PLK1EGFRINSRMAPK1JAK3
SCHEMBL21600815 0.76 MAPK3 (0.44) SYKEGFRMAPK1JAK3
SCHEMBL28910563 0.75 SLC2A1 (0.48) FGFR1SYKALKAURKAMAP4K4

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
CN-112313207-B Cyano-substituted pyridine and cyano-substituted pyrimidine compounds, and preparation methods and applications thereof 北京赛特明强医药科技有限公司 2023-02-14 — — CN disclosed
CN-112313207-A Cyano-substituted pyridine and cyano-substituted pyrimidine compounds, and preparation methods and applications thereof 北京赛特明强医药科技有限公司 2021-02-02 — — CN disclosed
Send feedback