SCHEMBL28604830

SCHEMBL28604830

CC(C)Oc1ccccc1Nc1nc(Nc2ccc(N3CCN(C)CC3)cc2OC(N)=O)ncc1C#N

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ SLC2A1 P11166 2/20 0.59
▸ PKMYT1 Q99640 2/20 0.55
▸ MAP3K7 O43318 1/20 0.54
▸ ALK Q9UM73 10/20 0.52
▸ INSR P06213 6/20 0.52
▸ IGF1R P08069 5/20 0.52
▸ JAK3 P52333 1/20 0.52
▸ PLK1 P53350 2/20 0.51
▸ PTK2 Q05397 1/20 0.51
▸ FGFR1 P11362 1/20 0.49
▸ FGFR2 P21802 1/20 0.49
▸ FGFR4 P22455 1/20 0.49
▸ FGFR3 P22607 1/20 0.49
▸ EGFR P00533 1/20 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
SCHEMBL23581168 0.90 SLC2A1 (0.52) SLC2A1PKMYT1MAP3K7ALKINSR
SCHEMBL23581166 0.87 SLC2A1 (0.53) SLC2A1PKMYT1MAP3K7ALKINSR
SCHEMBL23581207 0.86 JAK3 (0.61) SLC2A1MAP3K7JAK3FGFR1EGFR
SCHEMBL25139769 0.85 SLC2A1 (0.52) SLC2A1PKMYT1MAP3K7ALKINSR
SCHEMBL30044163 0.85 SLC2A1 (0.52) SLC2A1PKMYT1MAP3K7ALKINSR
SCHEMBL23581174 0.81 SLC2A1 (0.52) SLC2A1PKMYT1MAP3K7ALKINSR
SCHEMBL28953571 0.80 ALK (0.58) ALKINSRIGF1RPLK1PTK2
SCHEMBL28532459 0.80 FGFR1 (0.49) ALKIGF1RJAK3PLK1PTK2
SCHEMBL30379611 0.80 FGFR1 (0.49) ALKIGF1RJAK3PLK1PTK2
SCHEMBL25139831 0.80 ALK (0.60) MAP3K7ALKINSRIGF1RJAK3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113087671-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 2022-10-21 — — CN disclosed
CN-113087671-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 2021-07-09 — — CN disclosed
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