SCHEMBL6345883

SCHEMBL6345883

CC1(C)O[C@H]2[C@H](O1)C(CO[Si](C)(C)C(C)(C)C)O[C@H]2n1cnc2c(NCC(c3ccccc3)c3ccccc3)nc(C(=O)NCCc3ccccc3)nc21

nearest known ligand 0.57

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 20/20 0.57
ADORA3 P0DMS8 5/20 0.48
ADORA2B P29275 5/20 0.48
ADORA1 P30542 5/20 0.48

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
SCHEMBL6328264 1.00 ADORA2A (0.57) ADORA2AADORA3ADORA2BADORA1
SCHEMBL6328271 1.00 ADORA2A (0.57) ADORA2AADORA3ADORA2BADORA1
SCHEMBL6345875 1.00 ADORA2A (0.57) ADORA2AADORA3ADORA2BADORA1
SCHEMBL6322425 0.89 ADORA2A (0.62) ADORA2AADORA3ADORA2BADORA1
SCHEMBL6322416 0.89 ADORA2A (0.62) ADORA2AADORA3ADORA2BADORA1
SCHEMBL6328212 0.84 ADORA2A (0.45) ADORA2AADORA3ADORA2BADORA1
SCHEMBL6321587 0.84 ADORA2A (0.45) ADORA2AADORA3ADORA2BADORA1
SCHEMBL6319299 0.79 ADORA2A (0.42) ADORA2AADORA3ADORA2BADORA1
SCHEMBL6319293 0.79 ADORA2A (0.42) ADORA2AADORA3ADORA2BADORA1
SCHEMBL4376279 0.78 ADORA2A (0.55) ADORA2AADORA3ADORA2BADORA1

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
US-6900309-B1 Purine derivatives PFIZER INC (US) 2005-05-31 US disclosed