SCHEMBL4075270

SCHEMBL4075270

Cc1csc(-c2nc(Nc3ccc(CCN4CCOCC4)cc3)nc3[nH]ccc23)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTK P33981 5/20 0.48
IGF1R P08069 3/20 0.46
KDR P35968 6/20 0.45
CDK1 P06493 5/20 0.45
LRRK2 Q5S007 3/20 0.42
CHEK1 O14757 2/20 0.42
AURKA O14965 2/20 0.42
JAK2 O60674 2/20 0.42
MAP4K4 O95819 2/20 0.42
PAK4 O96013 2/20 0.42
ABL1 P00519 2/20 0.42
CSF1R P07333 2/20 0.42
RET P07949 2/20 0.42
LTK P29376 2/20 0.42
MAPK8 P45983 2/20 0.42
MAPK9 P45984 2/20 0.42
RPS6KA3 P51812 2/20 0.42
JAK3 P52333 2/20 0.42
MAP2K1 Q02750 2/20 0.42
MST1R Q04912 2/20 0.42

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
SCHEMBL4073485 0.91 TTK (0.47) TTKKDRLRRK2CHEK1AURKA
SCHEMBL4082415 0.87 TTK (0.46) TTKKDRCDK1LRRK2CHEK1
SCHEMBL4078306 0.86 TTK (0.62) TTKIGF1RKDRCDK1LRRK2
SCHEMBL3974734 0.84 KDR (0.46) TTKKDRCDK1LRRK2CHEK1
SCHEMBL3969173 0.83 TTK (0.40) TTKKDRCDK1LRRK2CHEK1
SCHEMBL3967492 0.82 MAPK1 (0.41) TTKKDRCDK1LRRK2CHEK1
SCHEMBL3970201 0.82 MAPK1 (0.41) TTKKDRCDK1LRRK2CHEK1
SCHEMBL3971535 0.82 TTK (0.45) TTKKDRCDK1LRRK2CHEK1
SCHEMBL3964255 0.82 LRRK2 (0.49) TTKKDRLRRK2CHEK1AURKA
SCHEMBL13883484 0.82 TTK (0.47) TTKKDRLRRK2CHEK1AURKA

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 3 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 claimed
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