SCHEMBL4162091

SCHEMBL4162091

Cc1ccc(Nc2ccc(N)c3c2C(=O)c2ccccc2C3=O)c2c1C(=O)c1ccccc1C2=O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 4/20 0.61
CSNK1A1 P48729 2/20 0.61
CSNK1D P48730 2/20 0.61
CSNK1G1 Q9HCP0 2/20 0.61
MAOA P21397 2/20 0.61
FGR P09769 1/20 0.61
PIM1 P11309 1/20 0.61
DYRK1A Q13627 1/20 0.61
HIPK2 Q9H2X6 1/20 0.61
MEN1 O00255 5/20 0.55
KMT2A Q03164 5/20 0.55
MMP14 P50281 1/20 0.55
POLB P06746 4/20 0.51
SMN1; SMN2 Q16637 4/20 0.51
ALDH1A1 P00352 4/20 0.51
MAPT P10636 3/20 0.51
L3MBTL1 Q9Y468 3/20 0.51
HPGD P15428 2/20 0.51
TDP1 Q9NUW8 2/20 0.51
PABPC1 P11940 1/20 0.51

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
SCHEMBL7037057 0.92 ADORA2A (0.73) ADORA2ACSNK1A1CSNK1DCSNK1G1MAOA
SCHEMBL6273633 0.88 ADORA2A (0.79) ADORA2ACSNK1A1CSNK1DCSNK1G1MAOA
SCHEMBL11536543 0.87 P2RY4 (0.60) ADORA2ACSNK1A1CSNK1DCSNK1G1MAOA
SCHEMBL11536541 0.87 P2RY4 (0.63) ADORA2ACSNK1A1CSNK1DCSNK1G1MAOA
SCHEMBL28200966 0.84 MEN1 (0.62) ADORA2ACSNK1A1CSNK1DCSNK1G1MAOA
SCHEMBL10809232 0.83 P2RY4 (0.60) ADORA2ACSNK1A1CSNK1DCSNK1G1MAOA
SCHEMBL14566056 0.83 ADORA2A (0.70) ADORA2ACSNK1A1CSNK1DCSNK1G1MAOA
SCHEMBL18157069 0.82 THRB (0.47) ADORA2ACSNK1A1CSNK1DCSNK1G1MAOA
SCHEMBL169365 0.82 ADORA2A (0.63) ADORA2ACSNK1A1CSNK1DCSNK1G1MAOA
SCHEMBL30918998 0.82 ADORA2A (0.63) ADORA2ACSNK1A1CSNK1DCSNK1G1MAOA

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
EP-2443101-B1 BAIT CHEMISTRIES IN HYDROGEL PARTICLES FOR SERUM BIOMARKER ANALYSIS LIOTTA LANCE (US) 2019-03-27 EP disclosed
US-20120107959-A1 BAIT CHEMISTRIES IN HYDROGEL PARTICLES FOR SERUM BIOMARKER ANALYSIS NNSA 2012-05-03 US disclosed