SCHEMBL11079692

SCHEMBL11079692

O=c1[nH]c2ccc(Cl)cc2c2nc(CO)nn12

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.57
JAK2 O60674 2/20 0.55
NTRK1 P04629 2/20 0.55
LCK P06239 2/20 0.55
CSF1R P07333 2/20 0.55
RET P07949 2/20 0.55
MET P08581 2/20 0.55
PDGFRB P09619 2/20 0.55
PIM1 P11309 2/20 0.55
FGFR1 P11362 2/20 0.55
PRKACA P17612 2/20 0.55
FLT3 P36888 2/20 0.55
MAPK8 P45983 2/20 0.55
CDK8 P49336 2/20 0.55
GSK3A P49840 2/20 0.55
GSK3B P49841 2/20 0.55
CDK7 P50613 2/20 0.55
CDK9 P50750 2/20 0.55
RPS6KA3 P51812 2/20 0.55
JAK3 P52333 2/20 0.55

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
SCHEMBL11088234 0.90 HAVCR2 (0.67) ADORA3HAVCR2CA12CA9
SCHEMBL404554 0.87 ADORA3 (0.57) ADORA3JAK2NTRK1LCKCSF1R
SCHEMBL11085925 0.86 JAK2 (0.51) ADORA3JAK2NTRK1LCKCSF1R
SCHEMBL11085956 0.85 JAK2 (0.67) ADORA3JAK2NTRK1LCKCSF1R
SCHEMBL11084957 0.85 JAK2 (0.50) ADORA3JAK2NTRK1LCKCSF1R
SCHEMBL11083808 0.85 JAK2 (0.55) JAK2NTRK1LCKCSF1RRET
SCHEMBL2824269 0.84 ADORA3 (0.54) ADORA3JAK2NTRK1LCKCSF1R
SCHEMBL405667 0.83 ADORA3 (0.55) ADORA3JAK2NTRK1LCKCSF1R
SCHEMBL11090738 0.83 JAK2 (0.52) ADORA3JAK2NTRK1LCKCSF1R
SCHEMBL11088253 0.82 JAK2 (0.53) ADORA3JAK2NTRK1LCKCSF1R

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