SCHEMBL27764321

SCHEMBL27764321

OC(CF)c1c[nH]c2ncccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 1/20 0.50
AXL P30530 1/20 0.47
GRM8 O00222 1/20 0.47
GRM4 Q14833 1/20 0.47
MET P08581 3/20 0.44
LRRK2 Q5S007 1/20 0.44
KMT2A Q03164 1/20 0.44
MAP2K1 Q02750 1/20 0.43
MTNR1A P48039 1/20 0.42
CDC7 O00311 2/20 0.41
GSK3B P49841 2/20 0.41
ROCK2 O75116 1/20 0.41
MAP4K4 O95819 1/20 0.41
PIM1 P11309 1/20 0.41
PRKACA P17612 1/20 0.41
CDK2 P24941 1/20 0.41
HIPK2 Q9H2X6 1/20 0.41
CLK4 Q9HAZ1 1/20 0.41
IRAK4 Q9NWZ3 1/20 0.41
DYRK1A Q13627 3/20 0.41

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
SCHEMBL14665063 0.84 GPR84 (0.50) GPR84AXLGRM8GRM4MET
SCHEMBL27500637 0.82 GRM8 (0.48) GPR84AXLGRM8GRM4MET
SCHEMBL27524118 0.82 GRM8 (0.48) GPR84AXLGRM8GRM4MET
SCHEMBL857209 0.82 MET (0.56) GPR84AXLGRM8GRM4MET
SCHEMBL27785916 0.81 GRM8 (0.47) GPR84AXLGRM8GRM4MET
SCHEMBL30713622 0.81 GPR84 (0.46) GPR84AXLGRM8GRM4MET
SCHEMBL12491066 0.79 AXL (0.51) GPR84AXLGRM8GRM4MET
SCHEMBL858688 0.79 MET (0.52) GPR84AXLGRM8GRM4MET
SCHEMBL31358333 0.77 GPR84 (0.43) GPR84AXLGRM8GRM4MET
SCHEMBL14663942 0.75 AXL (0.47) GPR84AXLGRM8GRM4MET

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
CN-101547909-A Glucocorticoid mimetics, methods of making them, pharmaceutical compositions, and uses thereof BOEHRINGER INGELHEIM INT (DE) 2009-09-30 CN disclosed