SCHEMBL11087253

SCHEMBL11087253

CCOC(=O)c1nc2c3cc(SC)ccc3[nH]c(=O)n2n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 10/20 0.54
JAK2 O60674 1/20 0.53
PAK4 O96013 1/20 0.53
NTRK1 P04629 1/20 0.53
LCK P06239 1/20 0.53
FYN P06241 1/20 0.53
CSF1R P07333 1/20 0.53
RET P07949 1/20 0.53
MET P08581 1/20 0.53
PDGFRB P09619 1/20 0.53
PIM1 P11309 1/20 0.53
FGFR1 P11362 1/20 0.53
PRKACA P17612 1/20 0.53
GRK5 P34947 1/20 0.53
MAP2K2 P36507 1/20 0.53
FLT3 P36888 1/20 0.53
MAPK8 P45983 1/20 0.53
CDK8 P49336 1/20 0.53
GSK3A P49840 1/20 0.53
GSK3B P49841 1/20 0.53

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
SCHEMBL11083902 0.88 ADORA3 (0.66) ADORA3JAK2PAK4NTRK1LCK
SCHEMBL11090747 0.86 ADORA3 (0.67) ADORA3JAK2PAK4NTRK1LCK
SCHEMBL29646349 0.83 ADORA3 (0.65) ADORA3HAVCR2
SCHEMBL11084100 0.83 ADORA3 (0.65) ADORA3HAVCR2
SCHEMBL11087090 0.82 ADORA3 (0.52) ADORA3JAK2PAK4NTRK1LCK
SCHEMBL11083295 0.81 ADORA3 (0.50) ADORA3JAK2PAK4NTRK1LCK
SCHEMBL11090875 0.81 KDM4E (0.55) ADORA3JAK2PAK4NTRK1LCK
SCHEMBL11083828 0.80 ADORA3 (0.52) ADORA3
SCHEMBL11086548 0.78 ADORA3 (0.49) ADORA3JAK2PAK4NTRK1LCK
SCHEMBL11085153 0.77 ADORA3 (0.50) ADORA3

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
US-4463007-A ANTIALLERGENS BASF AKTIENGESELLSCHAFT (DE) 1984-07-31 US disclosed