SCHEMBL28953574

SCHEMBL28953574

CCN1CCN(c2ccc(Nc3ncc(C#N)c(NC4CCN(C(C)=O)CC4)n3)c(OC(N)=O)c2)CC1

nearest known ligand 0.53

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ ALK Q9UM73 19/20 0.53
▸ IGF1R P08069 1/20 0.51
▸ CDK2 P24941 1/20 0.51

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
SCHEMBL30379442 0.89 SYK (0.50) ALKIGF1RCDK2
SCHEMBL28532459 0.85 FGFR1 (0.49) ALKIGF1RCDK2
SCHEMBL30379611 0.85 FGFR1 (0.49) ALKIGF1RCDK2
SCHEMBL21600758 0.84 MAPK3 (0.54) ALK
SCHEMBL30379344 0.84 MAPK3 (0.54) ALK
SCHEMBL21600782 0.84 ALK (0.49) ALKIGF1RCDK2
SCHEMBL28533769 0.83 ALK (0.56) ALKIGF1R
SCHEMBL28909338 0.83 ALK (0.55) ALKIGF1R
SCHEMBL28537291 0.81 PLK1 (0.63) ALKIGF1R
SCHEMBL28546939 0.81 TTK (0.43) ALKIGF1R

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
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
Send feedback