SCHEMBL2931742

SCHEMBL2931742

COc1ncnc2sc(NC(=O)ON3CCN(Cc4ccc(F)c(C(F)(F)F)c4)CC3)nc12

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
CXCR3 P49682 1/20 0.38
GPR6 P46095 2/20 0.36
LPAR2 Q9HBW0 1/20 0.36
HCAR1 Q9BXC0 1/20 0.36
SCD O00767 1/20 0.35
PHGDH O43175 1/20 0.35
RIPK1 Q13546 1/20 0.35
RIPK3 Q9Y572 1/20 0.35
ADORA2A P29274 1/20 0.35
ADORA2B P29275 1/20 0.35
ADORA1 P30542 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
SCHEMBL2931482 0.92 MEN1 (0.39) MEN1KMT2AGPR6LPAR2HCAR1
SCHEMBL1760928 0.89 FAAH (0.43) MEN1KMT2APHGDH
SCHEMBL3047619 0.87 RIPK1 (0.37) CXCR3SCDRIPK1RIPK3ADORA2A
SCHEMBL2932276 0.87 CYP2D6 (0.41) ADORA2AADORA2BADORA1
SCHEMBL2927982 0.87 ADORA2B (0.47) MEN1KMT2APHGDHADORA2AADORA2B
SCHEMBL2930809 0.86 LMNA (0.40) MEN1KMT2AADORA2AADORA1
SCHEMBL2932134 0.86 PPARD (0.42) GPR6
SCHEMBL2931938 0.85 PIK3CD (0.37) CXCR3SCDRIPK1RIPK3ADORA2A
SCHEMBL2931313 0.85 LRRK2 (0.38) ADORA2AADORA2BADORA1
SCHEMBL2924971 0.85 CCR3 (0.40) LPAR2HCAR1

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