SCHEMBL13519808

SCHEMBL13519808

C[C@@]1(O)C(O)[C@@H](CO)O[C@H]1c1cc(C(=O)O)c2c(N)ncnn12

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 2/20 0.41
▸ TNK2 Q07912 5/20 0.36
▸ ACVRL1 P37023 3/20 0.33
▸ NTRK1 P04629 1/20 0.33
▸ CSNK2A2 P19784 6/20 0.33
▸ CSNK2A1 P68400 6/20 0.33
▸ ADA P00813 1/20 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
SCHEMBL647116 1.00 ADORA2A (0.41) ADORA2ATNK2ACVRL1NTRK1CSNK2A2
SCHEMBL645943 0.92 ADORA2A (0.41) ADORA2ATNK2ACVRL1CSNK2A2CSNK2A1
SCHEMBL13519791 0.90 ADORA2A (0.34) ADORA2ATNK2ACVRL1CSNK2A2CSNK2A1
SCHEMBL10100388 0.89 ADORA2A (0.39) ADORA2ATNK2ACVRL1CSNK2A2CSNK2A1
SCHEMBL13531971 0.88 ADORA2A (0.41) ADORA2ATNK2ACVRL1ADA
SCHEMBL646007 0.88 ADORA2A (0.41) ADORA2ATNK2ACVRL1ADA
SCHEMBL13519782 0.86 ADORA2A (0.44) ADORA2ATNK2ACVRL1ADA
SCHEMBL10101516 0.86 CSNK2A2 (0.34) ADORA2ATNK2ACVRL1NTRK1CSNK2A2
SCHEMBL13531953 0.85 ADORA2A (0.43) ADORA2ATNK2ACVRL1ADA
SCHEMBL10101515 0.85 ACVRL1 (0.33) TNK2ACVRL1NTRK1CSNK2A2CSNK2A1

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-2010002877-A2 BYCYCLIC NUCLEOSIDES AND NUCLEOTIDES AS THERAPEUTIC AGENTS BIOTA SCIENTIFIC MANAGEMENT (AU) 2010-01-07 — — WO disclosed
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