SCHEMBL13519789

SCHEMBL13519789

Nc1ncnn2c([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3F)cc(C(=O)O)c12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LGALS3 P17931 2/20 0.35
▸ HIF1A Q16665 3/20 0.35
▸ ACVRL1 P37023 3/20 0.35
▸ ADORA3 P0DMS8 3/20 0.34
▸ ADORA2A P29274 3/20 0.34
▸ ADORA1 P30542 2/20 0.34
▸ PDE2A O00408 1/20 0.34
▸ ADRA1A P35348 1/20 0.34
▸ PDE4D Q08499 1/20 0.34
▸ PDE3A Q14432 1/20 0.34
▸ GAPDH P04406 2/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ DPP4 P27487 1/20 0.33
▸ CDK1 P06493 1/20 0.33
▸ CCNB1 P14635 1/20 0.33
▸ CCNA2 P20248 1/20 0.33
▸ CDK2 P24941 1/20 0.33
▸ CCNA1 P78396 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ SLC28A1 O00337 1/20 0.33

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
SCHEMBL10100350 0.91 HIF1A (0.41) HIF1AACVRL1ADORA3ADORA2AADORA1
SCHEMBL10101576 0.89 CSNK2A2 (0.34) ACVRL1
SCHEMBL10101513 0.89 CSNK2A2 (0.34) ACVRL1
SCHEMBL10101575 0.86 CSNK2A2 (0.34) LGALS3HIF1AACVRL1ADORA3ADORA2A
SCHEMBL10101582 0.81 PIK3CD (0.34) ACVRL1HSPA8
SCHEMBL10101512 0.81 PIK3CD (0.34) ACVRL1HSPA8
SCHEMBL13519792 0.81 DOT1L (0.46) HIF1AACVRL1ADORA3ADORA2AADORA1
SCHEMBL13519756 0.80 ACVRL1 (0.36) ACVRL1
SCHEMBL10101515 0.78 ACVRL1 (0.33) ACVRL1
SCHEMBL10101578 0.78 KDM4E (0.36) HIF1AACVRL1ADORA3ADORA2AADORA1

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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