SCHEMBL3898322

SCHEMBL3898322

Cc1ccc(N)c2c1-c1cscc1C2=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 5/20 0.48
CSNK1A1 P48729 2/20 0.48
CSNK1D P48730 2/20 0.48
CSNK1G1 Q9HCP0 2/20 0.48
MAOA P21397 2/20 0.48
FGR P09769 1/20 0.48
PIM1 P11309 1/20 0.48
DYRK1A Q13627 1/20 0.48
HIPK2 Q9H2X6 1/20 0.48
THRB P10828 3/20 0.46
MEN1 O00255 5/20 0.41
KMT2A Q03164 5/20 0.41
POLB P06746 4/20 0.41
ALDH1A1 P00352 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
MAPT P10636 3/20 0.41
RAB9A P51151 3/20 0.41
MAPK1 P28482 2/20 0.41
FGB P02675 1/20 0.41
PPARG P37231 1/20 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
SCHEMBL21969758 0.84 NSD2 (0.43) ADORA2ACSNK1A1CSNK1DCSNK1G1MAOA
SCHEMBL3902071 0.80 ADORA2A (0.61) ADORA2ACSNK1A1CSNK1DCSNK1G1MAOA
SCHEMBL3909101 0.80 MAPT (0.64) ADORA2ACSNK1A1CSNK1DCSNK1G1MAOA
SCHEMBL3897401 0.76 ALDH1A1 (0.40) ADORA2ACSNK1A1CSNK1DCSNK1G1MAOA
SCHEMBL3899297 0.76 ALDH1A1 (0.59) ADORA2ACSNK1A1CSNK1DCSNK1G1MAOA
SCHEMBL14839396 0.75 THRB (0.74) ADORA2ACSNK1A1CSNK1DCSNK1G1MAOA
SCHEMBL14750382 0.75 THRB (0.74) ADORA2ACSNK1A1CSNK1DCSNK1G1MAOA
SCHEMBL6273633 0.75 ADORA2A (0.79) ADORA2ACSNK1A1CSNK1DCSNK1G1MAOA
SCHEMBL3898401 0.74 ADORA2A (0.41) ADORA2ACSNK1A1CSNK1DCSNK1G1MAOA
SCHEMBL3902705 0.72 ADORA2A (0.60) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1383463-A4 PHARMACEUTICALLY ACTIVE COMPOUNDS AND METHODS OF USE KING PHARMACEUTICALS INC (US) 2009-03-25 EP claimed
EP-1383463-A2 PHARMACEUTICALLY ACTIVE COMPOUNDS AND METHODS OF USE King Pharmaceuticals, Inc. (US) 2004-01-28 EP claimed
WO-2002083083-A2 PHARMACEUTICALLY ACTIVE COMPOUNDS AND METHODS OF USE KING PHARMACEUTICALS, INC. (US) 2002-10-24 WO claimed
EP-1383463-A4 PHARMACEUTICALLY ACTIVE COMPOUNDS AND METHODS OF USE KING PHARMACEUTICALS INC (US) 2009-03-25 EP disclosed
EP-1383463-A2 PHARMACEUTICALLY ACTIVE COMPOUNDS AND METHODS OF USE King Pharmaceuticals, Inc. (US) 2004-01-28 EP disclosed
WO-2002083083-A2 PHARMACEUTICALLY ACTIVE COMPOUNDS AND METHODS OF USE KING PHARMACEUTICALS, INC. (US) 2002-10-24 WO disclosed