SCHEMBL4085715

SCHEMBL4085715

CCCCNS(=O)(=O)c1cccc(-c2ccc(-c3nc(Nc4ccc(Cn5ccnc5C)cc4)nc4[nH]ccc34)s2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 3/20 0.39
SYK P43405 5/20 0.36
AGTR2 P50052 2/20 0.34
PIK3CD O00329 1/20 0.34
PIK3CA P42336 1/20 0.34
PIK3CG P48736 1/20 0.34
PTK2 Q05397 3/20 0.34
JAK2 O60674 5/20 0.33
HDAC1 Q13547 2/20 0.33
HDAC6 Q9UBN7 2/20 0.33
SRC P12931 2/20 0.32
ABL1 P00519 1/20 0.32
AURKA O14965 2/20 0.32
DAPK3 O43293 2/20 0.32
PAK4 O96013 2/20 0.32
RET P07949 2/20 0.32
LTK P29376 2/20 0.32
KDR P35968 2/20 0.32
MAP2K2 P36507 2/20 0.32
MAPK8 P45983 2/20 0.32

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
SCHEMBL4407227 0.91 JAK1 (0.38) JAK1SYKPIK3CAPIK3CGPTK2
SCHEMBL13883626 0.89 IKBKB (0.41) JAK1SYKJAK2SRCAURKA
SCHEMBL13883718 0.83 AXL (0.38) JAK1JAK2TNIK
SCHEMBL3971650 0.81 TNIK (0.39) JAK1SYKAGTR2PTK2JAK2
SCHEMBL4085714 0.80 JAK1 (0.38) JAK1SYKAGTR2PTK2JAK2
SCHEMBL13883627 0.79 JAK2 (0.37) JAK1AGTR2PTK2JAK2HDAC1
SCHEMBL13883576 0.77 JAK2 (0.40) JAK1PTK2JAK2ABL1AURKA
SCHEMBL4077575 0.77 JAK2 (0.43) JAK1PTK2JAK2ABL1AURKA
SCHEMBL4255795 0.76 JAK1 (0.38) JAK1SYKPTK2JAK2HDAC1
SCHEMBL4081376 0.75 JAK2 (0.40) JAK1PTK2JAK2ABL1AURKA

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