SCHEMBL9805133

SCHEMBL9805133

CC1(C)O[C@@H]2[C@H](O1)[C@@H](CO)O[C@H]2Nc1nc(Cl)nc2c(OCc3ccccc3)nc(Cl)nc12

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 4/20 0.35
▸ ADORA1 P30542 4/20 0.35
▸ ADORA2A P29274 2/20 0.35
▸ ADORA2B P29275 2/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ MGMT P16455 2/20 0.34
▸ SLC29A1 Q99808 1/20 0.34
▸ NT5E P21589 1/20 0.34

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
SCHEMBL9805183 0.92 SLC29A1 (0.40) ADORA3ADORA1ADORA2AADORA2BALOX15
SCHEMBL9805225 0.85 ADORA3 (0.35) ADORA3ADORA1ADORA2AADORA2BALOX15
SCHEMBL9805095 0.83 ADORA3 (0.34) ADORA3ADORA1ADORA2AADORA2BALOX15
SCHEMBL9805214 0.80 ADORA3 (0.35) ADORA3ADORA1ADORA2AADORA2BALOX15
SCHEMBL9805407 0.80 ADORA3 (0.35) ADORA3ADORA1ADORA2AADORA2BALOX15
SCHEMBL9805346 0.80 ADORA3 (0.35) ADORA3ADORA1ADORA2AADORA2BALOX15
SCHEMBL9805265 0.78 PI4KA (0.39) ADORA3ADORA1ADORA2AADORA2BALOX15
SCHEMBL9805190 0.78 PI4KA (0.39) ADORA3ADORA1ADORA2AADORA2BALOX15
SCHEMBL9805093 0.77 PI4KA (0.39) ADORA3ADORA1ADORA2AADORA2BALOX15
SCHEMBL9805676 0.76 ADORA3 (0.33) ADORA3ADORA1ADORA2AADORA2BALOX15

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-5041542-A Antitumor-anticarcinogenic agents NUCLEIC ACID RESEARCH INSTITUTE (US) 1991-08-20 — — US disclosed
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