SCHEMBL13519773

SCHEMBL13519773

C[C@H]1C[C@@H](CO)O[C@H]1c1cc(C2=NCCN2)c2c(N)ncnn12

nearest known ligand 0.42

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ ACVRL1 P37023 12/20 0.42
▸ PIK3CD O00329 8/20 0.36

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
SCHEMBL14642635 0.81 PIK3CD (0.42) ACVRL1PIK3CD
SCHEMBL14642738 0.81 ACVRL1 (0.41) ACVRL1PIK3CD
SCHEMBL14642543 0.80 ACVRL1 (0.37) ACVRL1PIK3CD
SCHEMBL14642597 0.80 PIK3CD (0.38) ACVRL1PIK3CD
SCHEMBL14642529 0.77 PIK3CD (0.37) ACVRL1PIK3CD
SCHEMBL7602186 0.77 ACVRL1 (0.36) ACVRL1PIK3CD
SCHEMBL14642542 0.77 CSNK2A2 (0.36) ACVRL1PIK3CD
SCHEMBL7600101 0.77 ACVRL1 (0.41) ACVRL1PIK3CD
SCHEMBL13532224 0.75 CSNK2A2 (0.38) ACVRL1PIK3CD
SCHEMBL9912350 0.74 MAPK1 (0.36) ACVRL1

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
Send feedback