SCHEMBL5015033

SCHEMBL5015033

CC(c1c(C(F)(F)F)n[nH]c1Cl)N1CCN2CC(CNc3nc(N)n4nc(-c5ccco5)nc4n3)CCC2C1

nearest known ligand 0.59

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 2/20 0.51
ADORA2B P29275 2/20 0.51
ADORA1 P30542 2/20 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
SCHEMBL3545799 0.81 ADORA2A (0.64) ADORA2AADORA2BADORA1
SCHEMBL5410897 0.78 ADORA2A (0.61) ADORA2AADORA2BADORA1
SCHEMBL3544439 0.75
SCHEMBL5013365 0.75 ADORA2A (0.61) ADORA2A
SCHEMBL3547163 0.74 ADORA2A (0.69) ADORA2AADORA2BADORA1
SCHEMBL3547159 0.74 ADORA2A (0.69) ADORA2AADORA2BADORA1
SCHEMBL3547156 0.74 ADORA2A (0.69) ADORA2AADORA2BADORA1
SCHEMBL5012692 0.73 ADORA2A (0.57) ADORA2A
SCHEMBL5012689 0.73 ADORA2A (0.54) ADORA2AADORA2BADORA1
SCHEMBL9325950 0.73 ADORA2A (0.76) ADORA2AADORA2BADORA1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1633756-B1 A2A ADENOSINE RECEPTOR ANTAGONISTS BIOGEN IDEC INC (US) 2008-12-24 EP disclosed
EP-1633756-A2 A2A ADENOSINE RECEPTOR ANTAGONISTS Biogen Idec MA Inc. (US) 2006-03-15 EP disclosed
WO-2004092173-A2 A2A ADENOSINE RECEPTOR ANTAGONISTS BIOGEN IDEC MA INC. (US) 2004-10-28 WO disclosed