SCHEMBL13519778

SCHEMBL13519778

C[C@@]1(O)[C@H](F)[C@@H](CO)O[C@H]1c1cc(-c2cnn[nH]2)c2c(N)ncnn12

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ACVRL1 P37023 17/20 0.37
▸ ADORA2A P29274 1/20 0.31
▸ MTOR P42345 1/20 0.31
▸ RICTOR Q6R327 1/20 0.31
▸ RPTOR Q8N122 1/20 0.31
▸ MAPKAP1 Q9BPZ7 1/20 0.31
▸ MLST8 Q9BVC4 1/20 0.31

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
SCHEMBL10101538 0.92 ACVRL1 (0.37) ACVRL1MTORRICTORRPTORMAPKAP1
SCHEMBL645192 0.91 ACVRL1 (0.38) ACVRL1ADORA2AMTORRICTORRPTOR
SCHEMBL13519794 0.91 ACVRL1 (0.38) ACVRL1ADORA2AMTORRICTORRPTOR
SCHEMBL13519812 0.87 ACVRL1 (0.37) ACVRL1ADORA2AMTORRICTORRPTOR
SCHEMBL10101537 0.86 ACVRL1 (0.38) ACVRL1MTORRICTORRPTORMAPKAP1
SCHEMBL10101599 0.81 ACVRL1 (0.38) ACVRL1MTORRICTORRPTORMAPKAP1
SCHEMBL10101535 0.81 ACVRL1 (0.38) ACVRL1MTORRICTORRPTORMAPKAP1
SCHEMBL13519796 0.80 ADK (0.40) ACVRL1ADORA2A
SCHEMBL13519791 0.78 ADORA2A (0.34) ACVRL1ADORA2A
SCHEMBL14642816 0.77 ACVRL1 (0.41) ACVRL1MTORRICTORRPTORMAPKAP1

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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