SCHEMBL21600945

SCHEMBL21600945

C=CC(=O)Nc1cc(N2CCN(CC)CC2)ccc1Nc1cc(NCc2ccc([N+](=O)[O-])cc2)c(C#N)cn1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ FGFR1 P11362 10/20 0.47
▸ FGFR4 P22455 8/20 0.47
▸ FGFR2 P21802 3/20 0.45
▸ FGFR3 P22607 3/20 0.45
▸ JAK3 P52333 4/20 0.43
▸ JAK1 P23458 2/20 0.41
▸ JAK2 O60674 1/20 0.39
▸ CCR5 P51681 1/20 0.38
▸ MAPK3 P27361 1/20 0.38

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
SCHEMBL28539797 0.94 JAK3 (0.41) FGFR1FGFR4FGFR2FGFR3JAK3
SCHEMBL21600961 0.92 FGFR1 (0.49) FGFR1FGFR4FGFR2FGFR3JAK3
SCHEMBL21596368 0.90 FGFR1 (0.48) FGFR1FGFR4FGFR2FGFR3JAK3
SCHEMBL21600899 0.89 FGFR1 (0.49) FGFR1FGFR4FGFR2FGFR3JAK3
SCHEMBL21601030 0.89 FGFR1 (0.47) FGFR1FGFR4FGFR2FGFR3JAK3
SCHEMBL21601012 0.89 FGFR4 (0.51) FGFR1FGFR4FGFR2FGFR3JAK3
SCHEMBL21600904 0.89 FGFR4 (0.56) FGFR1FGFR4FGFR2FGFR3JAK3
SCHEMBL21601025 0.88 FGFR4 (0.51) FGFR1FGFR4FGFR2FGFR3JAK3
SCHEMBL21600928 0.87 FGFR1 (0.47) FGFR1FGFR4FGFR2FGFR3JAK3
SCHEMBL21600913 0.87 FGFR1 (0.48) FGFR1FGFR4FGFR2FGFR3JAK3

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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