SCHEMBL20096700

SCHEMBL20096700

CCCCCCOCn1cnc2c(N)ncnc21

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 4/20 0.64
▸ ALDH1A1 P00352 1/20 0.60
▸ FGFR1 P11362 2/20 0.60
▸ ADORA1 P30542 2/20 0.59
▸ ADORA2B P29275 1/20 0.59
▸ PI4KA P42356 2/20 0.58
▸ PI4K2B Q8TCG2 2/20 0.58
▸ PI4K2A Q9BTU6 2/20 0.58
▸ PI4KB Q9UBF8 2/20 0.58
▸ CYP3A4 P08684 7/20 0.55
▸ CYP2D6 P10635 7/20 0.55
▸ ENPP1 P22413 2/20 0.55
▸ NT5E P21589 1/20 0.54

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
SCHEMBL20096689 0.89 ADORA2A (0.66) ADORA2AALDH1A1FGFR1ADORA1ADORA2B
SCHEMBL8207464 0.88 ADORA2A (0.75) ADORA2AALDH1A1FGFR1ADORA1ADORA2B
SCHEMBL9885880 0.83 ADORA2A (0.69) ADORA2AADORA1ADORA2BPI4KAPI4K2B
SCHEMBL8193948 0.82 ADORA2A (0.59) ADORA2AALDH1A1FGFR1ADORA1ADORA2B
SCHEMBL8186532 0.82 ADORA2A (0.59) ADORA2AALDH1A1FGFR1ADORA1ADORA2B
SCHEMBL8220260 0.82 ADORA2A (0.59) ADORA2AALDH1A1FGFR1ADORA1ADORA2B
SCHEMBL23228230 0.82 ADORA2A (0.88) ADORA2AALDH1A1FGFR1ADORA1ADORA2B
SCHEMBL21469779 0.82 ADORA2A (0.88) ADORA2AALDH1A1FGFR1ADORA1ADORA2B
SCHEMBL1741560 0.82 ADORA2A (0.88) ADORA2AALDH1A1FGFR1ADORA1ADORA2B
SCHEMBL9484927 0.82 ADORA2A (0.88) ADORA2AALDH1A1FGFR1ADORA1ADORA2B

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-2018075947-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF RNA VIRAL INFECTIONS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2018-04-26 — — WO disclosed
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