SCHEMBL3976981

SCHEMBL3976981

N#Cc1ccc2cc(-c3nc(Nc4ccc(CN5CCOCC5)cc4)nc4[nH]ccc34)sc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCQ Q04759 2/20 0.44
PRKCD Q05655 2/20 0.44
CHEK1 O14757 3/20 0.41
CDK7 P50613 2/20 0.41
TTK P33981 2/20 0.41
KDR P35968 5/20 0.40
JAK2 O60674 5/20 0.40
JAK3 P52333 4/20 0.40
LRRK2 Q5S007 4/20 0.40
CLK4 Q9HAZ1 3/20 0.40
CDK5 Q00535 2/20 0.40
AURKA O14965 2/20 0.40
MAP4K4 O95819 2/20 0.40
PAK4 O96013 2/20 0.40
ABL1 P00519 2/20 0.40
CSF1R P07333 2/20 0.40
RET P07949 2/20 0.40
LTK P29376 2/20 0.40
MAPK8 P45983 2/20 0.40
MAPK9 P45984 2/20 0.40

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
SCHEMBL13883504 0.87 TTK (0.45) PRKCQPRKCDCHEK1TTKKDR
Hydrochloric Acid SCHEMBL3974362 0.86 TTK (0.44) PRKCQPRKCDCHEK1TTKKDR
SCHEMBL3970857 0.83 TTK (0.45) PRKCQPRKCDCHEK1TTKKDR
SCHEMBL3971424 0.81 TTK (0.56) TTKJAK2JAK3AURKAPTK2
SCHEMBL4077621 0.81 JAK2 (0.37) TTKKDRJAK2CDK1AXL
SCHEMBL13883460 0.80 BACE1 (0.40) PRKCQPRKCDKDRJAK2JAK3
SCHEMBL3975437 0.78 CDK1 (0.42) PRKCQPRKCDTTKKDRCDK1
SCHEMBL13883515 0.78 TTK (0.45) PRKCQPRKCDCHEK1TTKKDR
SCHEMBL4073485 0.77 TTK (0.47) PRKCQPRKCDCHEK1TTKKDR
SCHEMBL3964255 0.77 LRRK2 (0.49) PRKCQPRKCDCHEK1TTKKDR

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