SCHEMBL11307115

SCHEMBL11307115

CP(=O)(O)CC/C=C\Cn1cnc2c(N)ncnc21

nearest known ligand 0.63

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ AHCY P23526 9/20 0.63
▸ ADORA2A P29274 7/20 0.50
▸ ADORA1 P30542 4/20 0.50
▸ PI4KA P42356 2/20 0.50
▸ PI4K2B Q8TCG2 2/20 0.50
▸ PI4K2A Q9BTU6 2/20 0.50
▸ PI4KB Q9UBF8 2/20 0.50
▸ FGFR1 P11362 1/20 0.50
▸ SLC22A6 Q4U2R8 1/20 0.50
▸ CYP3A4 P08684 1/20 0.50
▸ ADORA2B P29275 1/20 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
SCHEMBL1733016 0.90 AHCY (0.66) AHCYADORA2AADORA1PI4KAPI4K2B
SCHEMBL11378379 0.90 AHCY (0.66) AHCYADORA2AADORA1PI4KAPI4K2B
SCHEMBL1733018 0.90 AHCY (0.66) AHCYADORA2AADORA1PI4KAPI4K2B
Butane SCHEMBL1731733 0.88 AHCY (0.60) AHCYADORA2AADORA1PI4KAPI4K2B
SCHEMBL5584021 0.84 AHCY (0.61) AHCYADORA2AADORA1PI4KAPI4K2B
SCHEMBL11383312 0.82 FGFR1 (0.53) AHCYFGFR1SLC22A6CYP3A4
SCHEMBL11303981 0.78 FGFR1 (0.69) FGFR1CYP3A4
SCHEMBL11307091 0.77 HPRT1 (0.58) —
SCHEMBL6158904 0.76 AHCY (0.76) AHCYADORA2AADORA1PI4KAPI4K2B
SCHEMBL9563488 0.76 AHCY (0.60) AHCYADORA2AADORA1PI4KAPI4K2B

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-8222257-B2 Phosphono-pent-2-en-1-yl nucleosides and analogs THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-07-17 — — US disclosed
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