SCHEMBL25837708

SCHEMBL25837708

COCCN1CCc2cc(Nc3ncc(Cl)c(Nc4ccccc4S(=O)(=O)N(C)C)n3)ccc2C1

nearest known ligand 0.74

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AXL P30530 5/20 0.74
INSR P06213 5/20 0.65
MET P08581 4/20 0.65
AURKA O14965 1/20 0.64
AURKB Q96GD4 1/20 0.64
NEK2 P51955 1/20 0.62
ALK Q9UM73 11/20 0.57

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
SCHEMBL31173432 1.00 AXL (0.74) AXLINSRMETAURKAAURKB
Formic Acid SCHEMBL31173418 0.96 AXL (0.69) AXLINSRMETAURKAAURKB
SCHEMBL886365 0.95 AXL (0.76) AXLINSRMETAURKAAURKB
SCHEMBL25837783 0.91 AXL (0.76) AXLINSRMETAURKAAURKB
SCHEMBL31173541 0.91 AXL (0.76) AXLINSRMETAURKAAURKB
SCHEMBL31173443 0.90 AXL (0.75) AXLINSRMETAURKAAURKB
SCHEMBL25837709 0.90 AXL (0.75) AXLINSRMETAURKAAURKB
Formic Acid SCHEMBL31173436 0.88 AXL (0.71) AXLINSRMETAURKAAURKB
SCHEMBL886660 0.87 INSR (0.74) AXLINSRMETALK
SCHEMBL25839123 0.86 AXL (0.67) AXLINSRMETAURKAAURKB

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-2023134582-A1 PYRIMIDINE-2,4-DIAMINE DERIVATIVES AS WELL AS PREPARATION METHOD THEREFOR AND USE THEREOF 上海立森印迹医药技术有限公司 2023-07-20 WO disclosed