SCHEMBL21600933

SCHEMBL21600933

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FGFR1 P11362 4/20 0.43
▸ FGFR4 P22455 4/20 0.43
▸ LRRK2 Q5S007 5/20 0.42
▸ JAK3 P52333 3/20 0.40
▸ CDK7 P50613 3/20 0.40
▸ BTK Q06187 2/20 0.40
▸ AURKA O14965 1/20 0.40
▸ DAPK3 O43293 1/20 0.40
▸ JAK2 O60674 1/20 0.40
▸ PRKD3 O94806 1/20 0.40
▸ MAP4K4 O95819 1/20 0.40
▸ PAK4 O96013 1/20 0.40
▸ LCK P06239 1/20 0.40
▸ FYN P06241 1/20 0.40
▸ CSF1R P07333 1/20 0.40
▸ RET P07949 1/20 0.40
▸ IGF1R P08069 1/20 0.40
▸ PIM1 P11309 1/20 0.40
▸ PDGFRA P16234 1/20 0.40
▸ PRKACA P17612 1/20 0.40

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
SCHEMBL21596331 0.89 FGFR1 (0.53) FGFR1FGFR4LRRK2JAK3CDK7
SCHEMBL30379613 0.83 SYK (0.44) FGFR1LRRK2JAK3CDK7BTK
SCHEMBL28910559 0.83 SYK (0.44) FGFR1LRRK2JAK3CDK7BTK
SCHEMBL28546939 0.83 TTK (0.43) FGFR1FGFR4LRRK2JAK3CDK7
SCHEMBL21600782 0.82 ALK (0.49) IGF1RALKMAPK3CDK2
SCHEMBL21596358 0.81 MAPK3 (0.47) FGFR1FGFR4LRRK2JAK3IGF1R
SCHEMBL21596362 0.80 TTK (0.57) FGFR1LRRK2JAK3CDK7BTK
SCHEMBL21600802 0.79 MAPK10 (0.40) FGFR1FGFR4JAK3JAK2RET
SCHEMBL21596373 0.78 MAPK3 (0.47) FGFR1FGFR4LRRK2JAK3CDK7
SCHEMBL21596379 0.76 PLK1 (0.56) FGFR1FGFR4LRRK2ALKTTK

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 3 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
WO-2019242689-A1 CYANO-SUBSTITUTED PYRIDINE AND CYANO-SUBSTITUTED PYRIMIDINE COMPOUND, AND PREPARATION METHOD AND APPLICATION THEREOF 北京赛特明强医药科技有限公司 2019-12-26 — — WO disclosed
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