SCHEMBL4073485

SCHEMBL4073485

Cc1csc(-c2nc(Nc3ccc(CN4CCOCC4)cc3)nc3[nH]ccc23)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTK P33981 6/20 0.47
JAK2 O60674 4/20 0.45
JAK3 P52333 4/20 0.45
LRRK2 Q5S007 3/20 0.45
PTK2 Q05397 3/20 0.45
AURKA O14965 3/20 0.45
AURKB Q96GD4 3/20 0.45
CHEK1 O14757 2/20 0.45
MAP4K4 O95819 2/20 0.45
PAK4 O96013 2/20 0.45
ABL1 P00519 2/20 0.45
CSF1R P07333 2/20 0.45
RET P07949 2/20 0.45
LTK P29376 2/20 0.45
KDR P35968 2/20 0.45
MAPK8 P45983 2/20 0.45
MAPK9 P45984 2/20 0.45
RPS6KA3 P51812 2/20 0.45
MAP2K1 Q02750 2/20 0.45
MST1R Q04912 2/20 0.45

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
SCHEMBL3969173 0.92 TTK (0.40) TTKJAK2JAK3LRRK2PTK2
SCHEMBL4075270 0.91 TTK (0.48) TTKJAK2JAK3LRRK2PTK2
SCHEMBL3967492 0.91 MAPK1 (0.41) TTKJAK2JAK3LRRK2PTK2
SCHEMBL3970201 0.91 MAPK1 (0.41) TTKJAK2JAK3LRRK2PTK2
SCHEMBL3974734 0.91 KDR (0.46) TTKJAK2JAK3LRRK2PTK2
SCHEMBL3964255 0.90 LRRK2 (0.49) TTKJAK2JAK3LRRK2PTK2
SCHEMBL3970782 0.90 PLK4 (0.41) TTKJAK2JAK3LRRK2PTK2
SCHEMBL3971535 0.89 TTK (0.45) TTKJAK2JAK3LRRK2PTK2
SCHEMBL4078306 0.87 TTK (0.62) TTKJAK2JAK3LRRK2PTK2
SCHEMBL13883520 0.87 LRRK2 (0.41) TTKJAK3LRRK2CHEK1KDR

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