SCHEMBL2909563

SCHEMBL2909563

Nc1nc(C[C@H](O)CO)nc2[nH]cnc12

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PNP P00491 4/20 0.35
ADORA2A P29274 3/20 0.34
ADORA2B P29275 1/20 0.32
ADORA1 P30542 1/20 0.32
PIK3CG P48736 1/20 0.32
AHCY P23526 1/20 0.31
HIF1A Q16665 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
SCHEMBL8107854 0.84 NOS2 (0.34) ADORA2AADORA2BADORA1
SCHEMBL28492779 0.84 NOS2 (0.34) ADORA2AADORA2BADORA1
SCHEMBL9176115 0.81 GDA (0.32) PNP
SCHEMBL25859 0.79 HRH4 (0.37) ADORA2A
SCHEMBL1982408 0.78
SCHEMBL11222090 0.77 PDPK1 (0.32) PNP
SCHEMBL16620498 0.77 PDPK1 (0.50) PNPHIF1A
SCHEMBL10615800 0.77 CDK1 (0.37) ADORA2A
SCHEMBL2909569 0.77 PDPK1 (0.50) PNPHIF1A
SCHEMBL10357383 0.76 ADORA2A (0.34) ADORA2AADORA1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1348707-B1 Pyrazolo[4,3-d]pyrimidines, processes for their preparation and methods for therapy USTAV EX BOTAN AV CR V V I I O (CZ) 2010-08-25 EP disclosed
US-7666851-B1 Three ring fused analogs of isoguanosine BENNER STEVEN ALBERT 2010-02-23 US disclosed