SCHEMBL2928081

SCHEMBL2928081

COc1ncnc2sc(NC(=O)ON3CCN(C(C)c4cccc(Cl)c4)CC3)nc12

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
OGA O60502 3/20 0.37
KIT P10721 2/20 0.35
MAPK1 P28482 3/20 0.35
ADORA3 P0DMS8 1/20 0.35
ADORA2A P29274 1/20 0.35
ADORA1 P30542 1/20 0.35
ROCK2 O75116 1/20 0.35
ROCK1 Q13464 1/20 0.35

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
SCHEMBL2930302 0.91 USP2 (0.35) KITMAPK1ADORA3ADORA2AADORA1
SCHEMBL1760946 0.89 PDGFRB (0.40) OGAKIT
SCHEMBL2931856 0.84 ALDH1A1 (0.44) ADORA3ADORA2AADORA1
SCHEMBL3049811 0.83 MEN1 (0.42) MAPK1ADORA2A
SCHEMBL2932086 0.83 ADORA3 (0.36) ADORA3ADORA2AADORA1
SCHEMBL2930009 0.81 KMT2A (0.37) ADORA3ADORA2AADORA1
SCHEMBL2929673 0.81 SCN9A (0.42) ADORA3ADORA2AADORA1
SCHEMBL1760848 0.79 PDGFRB (0.39) KITMAPK1ADORA3ADORA2AADORA1
SCHEMBL1760947 0.79 PDGFRB (0.39) KITMAPK1ADORA3ADORA2AADORA1
SCHEMBL2930809 0.78 LMNA (0.40) MAPK1ADORA3ADORA2AADORA1

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
EP-2027132-B1 THIAZOLO-PYRAMIDINE / PYRIDINE UREA DERIVATIVES AS ADENOSINE A2B RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2010-09-15 EP claimed