SCHEMBL28910559

SCHEMBL28910559

C=C(C(N)=O)c1cc(N2CCN(CC)CC2)cc(C)c1Nc1ncc(C#N)c(NC2CCCCC2)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 16/20 0.44
▸ RET P07949 3/20 0.43
▸ FLT3 P36888 3/20 0.43
▸ RPS6KA3 P51812 3/20 0.43
▸ JAK2 O60674 2/20 0.43
▸ CSF1R P07333 2/20 0.43
▸ JAK3 P52333 2/20 0.43
▸ PRKD3 O94806 2/20 0.43
▸ MAP4K4 O95819 2/20 0.43
▸ PAK4 O96013 2/20 0.43
▸ MAPK8 P45983 2/20 0.43
▸ MAPK9 P45984 2/20 0.43
▸ PRKAA1 Q13131 2/20 0.43
▸ TAOK1 Q7L7X3 2/20 0.43
▸ AURKA O14965 1/20 0.43
▸ DAPK3 O43293 1/20 0.43
▸ LCK P06239 1/20 0.43
▸ FYN P06241 1/20 0.43
▸ IGF1R P08069 1/20 0.43
▸ PIM1 P11309 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
SCHEMBL30379613 1.00 SYK (0.44) SYKRETFLT3RPS6KA3JAK2
SCHEMBL28546939 0.89 TTK (0.43) SYKRETFLT3RPS6KA3JAK2
SCHEMBL21596331 0.86 FGFR1 (0.53) RETFLT3RPS6KA3JAK2CSF1R
SCHEMBL28537285 0.85 WEE1 (0.53) SYKRETFLT3RPS6KA3JAK2
SCHEMBL30379743 0.85 WEE1 (0.53) SYKRETFLT3RPS6KA3JAK2
SCHEMBL21600933 0.83 FGFR1 (0.43) SYKRETFLT3RPS6KA3JAK2
SCHEMBL21596362 0.82 TTK (0.57) RETFLT3RPS6KA3JAK2CSF1R
SCHEMBL30379442 0.81 SYK (0.50) SYKRETFLT3RPS6KA3JAK2
SCHEMBL28953581 0.80 SYK (0.49) SYKRETFLT3RPS6KA3JAK2
SCHEMBL30379741 0.78 JAK2 (0.44) SYKRETFLT3RPS6KA3JAK2

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
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