SCHEMBL21600757

SCHEMBL21600757

C=CC(=O)Nc1cc(N2CCN(CC)CC2)ccc1Nc1ncc(C#N)c(Nc2ccccc2Cl)n1

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ MAPK3 P27361 11/20 0.55
▸ SRC P12931 5/20 0.54
▸ MAP3K7 O43318 2/20 0.54
▸ FGFR1 P11362 1/20 0.54
▸ MAPK1 P28482 1/20 0.54
▸ MAP2K1 Q02750 1/20 0.54
▸ JAK3 P52333 1/20 0.51
▸ EGFR P00533 2/20 0.49

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
SCHEMBL30379294 1.00 MAPK3 (0.55) MAPK3SRCMAP3K7FGFR1MAPK1
SCHEMBL21600760 0.91 JAK3 (0.51) MAPK3SRCMAP3K7FGFR1MAPK1
SCHEMBL21600759 0.89 IGF1R (0.51) MAPK3SRCMAP3K7FGFR1MAPK1
SCHEMBL25140070 0.89 JAK3 (0.54) MAPK3SRCMAP3K7FGFR1MAPK1
SCHEMBL21600915 0.87 JAK3 (0.49) MAPK3MAP3K7FGFR1MAP2K1JAK3
SCHEMBL21600812 0.87 JAK3 (0.56) MAPK3SRCMAP3K7FGFR1MAPK1
SCHEMBL21600754 0.86 JAK3 (0.52) MAPK3MAP3K7FGFR1MAP2K1JAK3
SCHEMBL21600786 0.86 MAPK3 (0.52) MAPK3MAP3K7FGFR1MAP2K1JAK3
SCHEMBL30379585 0.86 MAPK3 (0.52) MAPK3MAP3K7FGFR1MAP2K1JAK3
SCHEMBL23606837 0.86 JAK3 (0.51) MAPK3SRCMAP3K7FGFR1JAK3

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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