SCHEMBL21600935

SCHEMBL21600935

CCN1CCN(c2ccc(Nc3cc(OC4CCCCC4)c(C#N)cn3)c(NC(=O)OC(C)(C)C)c2)CC1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ FGFR4 P22455 9/20 0.42
▸ MAPK10 P53779 1/20 0.40
▸ FGFR1 P11362 5/20 0.39
▸ FGFR2 P21802 1/20 0.38
▸ FGFR3 P22607 1/20 0.38
▸ CHEK1 O14757 2/20 0.37
▸ MAPK3 P27361 1/20 0.37
▸ FLT3 P36888 2/20 0.36
▸ IKBKE Q14164 1/20 0.35
▸ TBK1 Q9UHD2 1/20 0.35
▸ PDE4A P27815 1/20 0.35
▸ PDE4B Q07343 1/20 0.35
▸ PDE4C Q08493 1/20 0.35
▸ PDE4D Q08499 1/20 0.35

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
SCHEMBL21600802 0.90 MAPK10 (0.40) FGFR4MAPK10FGFR1FGFR2FGFR3
SCHEMBL21601007 0.88 FGFR1 (0.52) FGFR4FGFR1FGFR2FGFR3MAPK3
SCHEMBL21600884 0.83 MAPK10 (0.45) FGFR4MAPK10FGFR1FGFR2FGFR3
SCHEMBL21600833 0.81 MAPK10 (0.42) FGFR4MAPK10FGFR1CHEK1MAPK3
SCHEMBL28539793 0.81 FGFR4 (0.45) FGFR4FGFR1FGFR2FGFR3MAPK3
SCHEMBL21600988 0.80 MAPK10 (0.46) FGFR4MAPK10FGFR1FGFR2FGFR3
SCHEMBL21600944 0.79 MAPK10 (0.41) FGFR4MAPK10FGFR1FGFR2FGFR3
SCHEMBL21600948 0.79 FGFR4 (0.39) FGFR4MAPK10FGFR1FGFR2FGFR3
SCHEMBL21599131 0.79 MAPK10 (0.44) MAPK10CHEK1MAPK3
SCHEMBL30379621 0.79 MAPK10 (0.44) MAPK10CHEK1MAPK3

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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