SCHEMBL21600944

SCHEMBL21600944

CCN1CCN(c2ccc(Nc3cc(NCc4ccccc4O)c(C#N)cn3)c(NC(=O)OC(C)(C)C)c2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK10 P53779 1/20 0.41
▸ FGFR4 P22455 6/20 0.38
▸ FGFR1 P11362 6/20 0.38
▸ HTR6 P50406 2/20 0.37
▸ HTR2A P28223 1/20 0.37
▸ FGFR2 P21802 1/20 0.36
▸ FGFR3 P22607 1/20 0.36
▸ PRKCQ Q04759 2/20 0.35
▸ PRKCD Q05655 2/20 0.35
▸ MAPK3 P27361 1/20 0.35
▸ CHEK1 O14757 2/20 0.35
▸ JAK3 P52333 2/20 0.34
▸ STAT6 P42226 1/20 0.34
▸ MET P08581 1/20 0.34
▸ AURKA O14965 1/20 0.33
▸ DAPK3 O43293 1/20 0.33
▸ JAK2 O60674 1/20 0.33
▸ PRKD3 O94806 1/20 0.33
▸ MAP4K4 O95819 1/20 0.33
▸ PAK4 O96013 1/20 0.33

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
SCHEMBL21600947 0.88 FGFR4 (0.48) MAPK10FGFR4FGFR1FGFR2FGFR3
SCHEMBL21600884 0.87 MAPK10 (0.45) MAPK10FGFR4FGFR1FGFR2FGFR3
SCHEMBL21600811 0.86 MAPK10 (0.42) MAPK10FGFR4FGFR1FGFR2FGFR3
SCHEMBL21600948 0.83 FGFR4 (0.39) MAPK10FGFR4FGFR1FGFR2FGFR3
SCHEMBL21600802 0.82 MAPK10 (0.40) MAPK10FGFR4FGFR1FGFR2FGFR3
SCHEMBL21596325 0.82 FGFR4 (0.42) MAPK10FGFR4FGFR1HTR6HTR2A
SCHEMBL21600988 0.81 MAPK10 (0.46) MAPK10FGFR4FGFR1FGFR2FGFR3
SCHEMBL21600935 0.79 FGFR4 (0.42) MAPK10FGFR4FGFR1FGFR2FGFR3
SCHEMBL21596386 0.79 FGFR1 (0.50) MAPK10FGFR4FGFR1FGFR2FGFR3
SCHEMBL21596360 0.78 PRKCQ (0.38) MAPK10PRKCQPRKCDCHEK1JAK3

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
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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