SCHEMBL4073754

SCHEMBL4073754

Oc1nc(Nc2ccc(CN3CCOCC3)cc2)nc2[nH]ccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 3/20 0.48
JAK2 O60674 4/20 0.48
PTK2 Q05397 4/20 0.48
JAK3 P52333 4/20 0.48
AURKA O14965 3/20 0.48
AURKB Q96GD4 3/20 0.48
CHEK1 O14757 2/20 0.48
MAP4K4 O95819 2/20 0.48
PAK4 O96013 2/20 0.48
ABL1 P00519 2/20 0.48
CSF1R P07333 2/20 0.48
RET P07949 2/20 0.48
LTK P29376 2/20 0.48
KDR P35968 2/20 0.48
MAPK8 P45983 2/20 0.48
MAPK9 P45984 2/20 0.48
RPS6KA3 P51812 2/20 0.48
MAP2K1 Q02750 2/20 0.48
MST1R Q04912 2/20 0.48
MAP4K2 Q12851 2/20 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
SCHEMBL4079433 0.88 LRRK2 (0.52) LRRK2JAK2PTK2JAK3AURKA
SCHEMBL14547960 0.81 LRRK2 (0.58) LRRK2JAK2PTK2JAK3AURKA
SCHEMBL4073485 0.78 TTK (0.47) LRRK2JAK2PTK2JAK3AURKA
SCHEMBL3964255 0.77 LRRK2 (0.49) LRRK2JAK2PTK2JAK3AURKA
SCHEMBL13883504 0.77 TTK (0.45) LRRK2JAK2PTK2JAK3AURKA
SCHEMBL13883515 0.77 TTK (0.45) LRRK2JAK2PTK2JAK3AURKA
Hydrochloric Acid SCHEMBL3974362 0.76 TTK (0.44) LRRK2JAK2PTK2JAK3AURKA
SCHEMBL3971535 0.76 TTK (0.45) LRRK2JAK2PTK2JAK3AURKA
SCHEMBL3970857 0.75 TTK (0.45) LRRK2JAK2PTK2JAK3AURKA
SCHEMBL4254982 0.74 JAK2 (0.45) LRRK2JAK2PTK2JAK3AURKA

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
WO-2009049028-A1 PYRROLOPYRIMIDINE COMPOUNDS AND THEIR USE AS JANUS KINASE MODULATORS TARGEGEN INC. (US) 2009-04-16 WO disclosed
WO-2009049028-A1 PYRROLOPYRIMIDINE COMPOUNDS AND THEIR USE AS JANUS KINASE MODULATORS TARGEGEN INC. (US) 2009-04-16 WO disclosed