SCHEMBL22007632

SCHEMBL22007632

Cc1nc2c(nc1C)c1nc(C#N)c(C#N)nc1c1nc(C#N)c(C#N)nc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.36
MAPK1 P28482 1/20 0.36
USP8 P40818 3/20 0.32
USP7 Q93009 2/20 0.32
CHEK1 O14757 1/20 0.31
ABL1 P00519 1/20 0.31
PDGFRB P09619 1/20 0.31
PDGFRA P16234 1/20 0.31
FLT1 P17948 1/20 0.31
GRK5 P34947 1/20 0.31
KDR P35968 1/20 0.31
MAP2K2 P36507 1/20 0.31
CDK8 P49336 1/20 0.31
GSK3A P49840 1/20 0.31
GSK3B P49841 1/20 0.31
PRKX P51817 1/20 0.31
NEK2 P51955 1/20 0.31
LIMK1 P53667 1/20 0.31
MAP2K1 Q02750 1/20 0.31
PRKCQ Q04759 1/20 0.31

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
SCHEMBL13726247 0.95 ALDH1A1 (0.34) ALDH1A1MAPK1USP8USP7KDM4E
SCHEMBL12644360 0.92 ALDH1A1 (0.35) ALDH1A1MAPK1USP8USP7CHEK1
SCHEMBL19596704 0.92 ALDH1A1 (0.35) ALDH1A1MAPK1USP8USP7CHEK1
SCHEMBL25523357 0.92 ALDH1A1 (0.35) ALDH1A1MAPK1CHEK1ABL1PDGFRB
SCHEMBL26415242 0.87 ALDH1A1 (0.33) ALDH1A1MAPK1USP8USP7
SCHEMBL26415197 0.87 ALDH1A1 (0.33) ALDH1A1MAPK1USP8USP7
SCHEMBL12292112 0.87 USP8 (0.34) ALDH1A1MAPK1USP8KDM4EMEN1
SCHEMBL30688772 0.85 USP8 (0.35) ALDH1A1MAPK1USP8USP7CHEK1
SCHEMBL2488974 0.85 USP8 (0.35) ALDH1A1MAPK1USP8USP7CHEK1
SCHEMBL29351193 0.85 USP8 (0.34) ALDH1A1MAPK1USP8USP7KDM4E

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
EP-1842891-B1 Electroluminescent devices with low work function anode LG CHEMICAL LTD (KR) 2020-05-20 EP disclosed