SCHEMBL28546939

SCHEMBL28546939

CCN1CCN(c2cc(C)c(Nc3ncc(C#N)c(NC4CCCCC4)n3)c(OC(N)=O)c2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TTK P33981 2/20 0.43
▸ FGFR1 P11362 4/20 0.42
▸ LRRK2 Q5S007 3/20 0.42
▸ JAK2 O60674 2/20 0.42
▸ CSF1R P07333 2/20 0.42
▸ RET P07949 2/20 0.42
▸ FLT3 P36888 2/20 0.42
▸ RPS6KA3 P51812 2/20 0.42
▸ JAK3 P52333 2/20 0.42
▸ AURKA O14965 1/20 0.42
▸ DAPK3 O43293 1/20 0.42
▸ PRKD3 O94806 1/20 0.42
▸ MAP4K4 O95819 1/20 0.42
▸ PAK4 O96013 1/20 0.42
▸ LCK P06239 1/20 0.42
▸ FYN P06241 1/20 0.42
▸ IGF1R P08069 1/20 0.42
▸ PIM1 P11309 1/20 0.42
▸ PDGFRA P16234 1/20 0.42
▸ PRKACA P17612 1/20 0.42

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
SCHEMBL30379613 0.89 SYK (0.44) FGFR1LRRK2JAK2CSF1RRET
SCHEMBL28910559 0.89 SYK (0.44) FGFR1LRRK2JAK2CSF1RRET
SCHEMBL21596331 0.84 FGFR1 (0.53) TTKFGFR1LRRK2JAK2CSF1R
SCHEMBL21600933 0.83 FGFR1 (0.43) TTKFGFR1LRRK2JAK2CSF1R
SCHEMBL28953574 0.81 ALK (0.53) IGF1RALK
SCHEMBL21596362 0.81 TTK (0.57) TTKFGFR1LRRK2JAK2CSF1R
SCHEMBL21596322 0.79 LRRK2 (0.42) FGFR1LRRK2JAK2CSF1RRET
SCHEMBL30379611 0.76 FGFR1 (0.49) FGFR1LRRK2JAK2CSF1RRET
SCHEMBL28532459 0.76 FGFR1 (0.49) FGFR1LRRK2JAK2CSF1RRET
SCHEMBL28537285 0.74 WEE1 (0.53) FGFR1LRRK2JAK2CSF1RRET

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-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
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