SCHEMBL2930302

SCHEMBL2930302

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

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
ADORA3 P0DMS8 1/20 0.34
ADORA2A P29274 1/20 0.34
ADORA1 P30542 1/20 0.34
MAPK1 P28482 3/20 0.34
KIT P10721 1/20 0.33
MC4R P32245 1/20 0.33
POLB P06746 1/20 0.33
CASR P41180 2/20 0.32
ROCK2 O75116 1/20 0.32
ROCK1 Q13464 1/20 0.32

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
SCHEMBL2928081 0.91 OGA (0.37) ADORA3ADORA2AADORA1MAPK1KIT
SCHEMBL1760947 0.89 PDGFRB (0.39) MAPTADORA3ADORA2AADORA1MAPK1
SCHEMBL3049811 0.83 MEN1 (0.42) LMNAMAPTADORA2AMAPK1
SCHEMBL3039094 0.83 TACR1 (0.36) ADORA2AADORA1MC4R
SCHEMBL2931856 0.82 ALDH1A1 (0.44) MAPTADORA3ADORA2AADORA1POLB
SCHEMBL12647200 0.82 PDGFRB (0.38) MAPTADORA3ADORA2AADORA1MAPK1
SCHEMBL2932086 0.82 ADORA3 (0.36) LMNAMAPTADORA3ADORA2AADORA1
SCHEMBL2930009 0.80 KMT2A (0.37) MAPTADORA3ADORA2AADORA1
SCHEMBL2929673 0.79 SCN9A (0.42) ADORA3ADORA2AADORA1
SCHEMBL1760946 0.79 PDGFRB (0.40) KIT

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