SCHEMBL25838137

SCHEMBL25838137

CN(C)CCN1Cc2ccc(Nc3ncc(Cl)c(Nc4ccccc4S(=O)(=O)N(C)C)n3)cc2C1

nearest known ligand 0.75

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AXL P30530 7/20 0.75
AURKA O14965 1/20 0.67
AURKB Q96GD4 1/20 0.67
NEK2 P51955 1/20 0.65
ALK Q9UM73 13/20 0.58
INSR P06213 5/20 0.51
IGF1R P08069 1/20 0.51
MET P08581 4/20 0.50
EGFR P00533 1/20 0.49
EML4 Q9HC35 1/20 0.49
KCNH2 Q12809 1/20 0.48

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
SCHEMBL31173541 0.94 AXL (0.76) AXLAURKAAURKBNEK2ALK
SCHEMBL25837783 0.94 AXL (0.76) AXLAURKAAURKBNEK2ALK
Formic Acid SCHEMBL31173436 0.90 AXL (0.71) AXLAURKAAURKBNEK2ALK
SCHEMBL25837709 0.85 AXL (0.75) AXLAURKAAURKBNEK2ALK
SCHEMBL31173443 0.85 AXL (0.75) AXLAURKAAURKBNEK2ALK
SCHEMBL31173432 0.85 AXL (0.74) AXLAURKAAURKBNEK2ALK
SCHEMBL25837708 0.85 AXL (0.74) AXLAURKAAURKBNEK2ALK
SCHEMBL31173379 0.83 AXL (0.67) AXLAURKAAURKBNEK2ALK
SCHEMBL25839123 0.83 AXL (0.67) AXLAURKAAURKBNEK2ALK
Formic Acid SCHEMBL31173418 0.82 AXL (0.69) AXLAURKAAURKBNEK2ALK

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