SCHEMBL8934006

SCHEMBL8934006

CC(C)C(O[C@H](C)Cn1nc2nc(N)nc(Cl)c2n1)(C(C)C)P(=O)(O)O

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 2/20 0.32
ADORA1 P30542 2/20 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
SCHEMBL8934206 0.77 PNP (0.32) ADORA2AADORA1
SCHEMBL8934194 0.77 PNP (0.32) ADORA2AADORA1
SCHEMBL9176450 0.76 HDAC6 (0.46)
SCHEMBL8934002 0.74 FAP (0.32) ADORA2AADORA1
SCHEMBL8934000 0.74 FAP (0.32) ADORA2AADORA1
SCHEMBL6897604 0.70 CYP3A4 (0.46)
SCHEMBL8752200 0.66 HDAC6 (0.42)
SCHEMBL8752192 0.66 HDAC6 (0.42)
SCHEMBL6004037 0.65 HSP90AB1 (0.42)
SCHEMBL6004500 0.65 HSP90AB1 (0.42)

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
WO-1996009307-A1 PURINE AND 8-AZAPURINE DERIVATIVES SUITABLE TO THE THERAPEUTIC TREATMENT OF AIDS ISTITUTO SUPERIORE DI SANITA' (IT) 1996-03-28 WO disclosed