SCHEMBL28953581

SCHEMBL28953581

C=C(C(N)=O)c1cc(N2CCN(CC)CC2)c(Cl)cc1Nc1ncc(C#N)c(NC2CCC2)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 10/20 0.49
▸ LRRK2 Q5S007 6/20 0.40
▸ SLC2A1 P11166 1/20 0.40
▸ PKMYT1 Q99640 2/20 0.39
▸ AURKA O14965 1/20 0.39
▸ DAPK3 O43293 1/20 0.39
▸ JAK2 O60674 1/20 0.39
▸ PRKD3 O94806 1/20 0.39
▸ MAP4K4 O95819 1/20 0.39
▸ PAK4 O96013 1/20 0.39
▸ LCK P06239 1/20 0.39
▸ FYN P06241 1/20 0.39
▸ CSF1R P07333 1/20 0.39
▸ RET P07949 1/20 0.39
▸ IGF1R P08069 1/20 0.39
▸ PIM1 P11309 1/20 0.39
▸ FGFR1 P11362 1/20 0.39
▸ PDGFRA P16234 1/20 0.39
▸ PRKACA P17612 1/20 0.39
▸ FLT1 P17948 1/20 0.39

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
SCHEMBL28910563 0.86 SLC2A1 (0.48) SYKLRRK2SLC2A1PKMYT1AURKA
SCHEMBL21596311 0.85 MAPK3 (0.46) SYKJAK2JAK3
SCHEMBL28531632 0.85 FGFR1 (0.47) SYKLRRK2SLC2A1AURKAMAP4K4
SCHEMBL28953570 0.81 PKMYT1 (0.49) SYKLRRK2SLC2A1PKMYT1AURKA
SCHEMBL28546937 0.81 JAK3 (0.47) LRRK2PKMYT1JAK2JAK3
SCHEMBL30379613 0.80 SYK (0.44) SYKLRRK2SLC2A1AURKADAPK3
SCHEMBL28910559 0.80 SYK (0.44) SYKLRRK2SLC2A1AURKADAPK3
SCHEMBL30379442 0.79 SYK (0.50) SYKLRRK2AURKADAPK3JAK2
SCHEMBL28953583 0.76 EGFR (0.49) LRRK2SLC2A1PKMYT1AURKAIGF1R
SCHEMBL30379391 0.74 LRRK2 (0.49) SYKLRRK2SLC2A1PKMYT1AURKA

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-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
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