SCHEMBL5354686

SCHEMBL5354686

OC1C(O)[C@@H](COC2CC2)O[C@H]1n1cnc2c(NC3CCCC3)nc(Cl)nc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 9/20 1.00
▸ ADORA1 P30542 7/20 0.78
▸ ADORA2A P29274 5/20 0.78
▸ ADORA2B P29275 3/20 0.78
▸ MEN1 O00255 1/20 0.78
▸ CYP1A2 P05177 1/20 0.78
▸ MAPK1 P28482 1/20 0.78
▸ KMT2A Q03164 1/20 0.78
▸ RXFP1 Q9HBX9 1/20 0.77
▸ NT5E P21589 2/20 0.74

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
SCHEMBL5354685 1.00 ADORA3 (1.00) ADORA3ADORA1ADORA2AADORA2BMEN1
SCHEMBL6809452 0.90 ADORA3 (1.00) ADORA3ADORA1ADORA2AADORA2BMEN1
SCHEMBL14906327 0.90 ADORA3 (1.00) ADORA3ADORA1ADORA2AADORA2BMEN1
SCHEMBL6809456 0.90 ADORA3 (1.00) ADORA3ADORA1ADORA2AADORA2BMEN1
SCHEMBL3716748 0.89 ADORA1 (0.87) ADORA3ADORA1ADORA2AADORA2BMEN1
SCHEMBL12221416 0.88 ADORA3 (0.80) ADORA3ADORA1ADORA2AADORA2BMEN1
SCHEMBL3716756 0.88 ADORA1 (0.86) ADORA3ADORA1ADORA2AADORA2BMEN1
SCHEMBL3716753 0.88 ADORA1 (0.86) ADORA3ADORA1ADORA2AADORA2BMEN1
SCHEMBL14686249 0.88 ADORA1 (0.86) ADORA3ADORA1ADORA2AADORA2BMEN1
SCHEMBL472609 0.88 ADORA3 (1.00) ADORA3ADORA1ADORA2AADORA2BMEN1

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-7189706-B2 C2,5′-disubstituted and N6,C2,5′-trisubstituted adenosine derivatives and pharmaceutical compositions containing them UNIVERSITEIT LEIDEN (NL) 2007-03-13 — — US claimed
Send feedback