SCHEMBL19503474

SCHEMBL19503474

CSc1nc(N)c2ncn([C@@H]3C[C@H](CO)[C@@H](O)C3)c2n1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AHCY P23526 2/20 0.49
P2RY1 P47900 7/20 0.46
ADORA3 P0DMS8 1/20 0.44
P2RY12 Q9H244 2/20 0.44
ENPP1 P22413 1/20 0.44
LMNA P02545 2/20 0.43
PNP P00491 1/20 0.43
TP53 P04637 1/20 0.43
HTT P42858 1/20 0.43
PDE4D Q08499 1/20 0.43
PDE3A Q14432 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
BLM P54132 1/20 0.43
KMT2A Q03164 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL29319924 0.89 AHCY (0.57) AHCYP2RY1ADORA3P2RY12ENPP1
SCHEMBL22399995 0.89 AHCY (0.57) AHCYP2RY1ADORA3P2RY12ENPP1
SCHEMBL9423943 0.83 PDE4D (0.62) AHCYADORA3LMNAPNPTP53
SCHEMBL19503470 0.83 PDE4D (0.62) AHCYADORA3LMNAPNPTP53
SCHEMBL19503479 0.82 AHCY (0.73) AHCYP2RY1ADORA3
SCHEMBL22399999 0.82 AHCY (0.73) AHCYP2RY1ADORA3
SCHEMBL19503898 0.82 AHCY (0.73) AHCYP2RY1ADORA3
SCHEMBL12330956 0.81 AHCY (0.56) AHCYP2RY1P2RY12ENPP1LMNA
SCHEMBL19503356 0.81 ADCY5 (0.48) AHCYP2RY1ADORA3P2RY12ENPP1
SCHEMBL16290177 0.81 AHCY (0.56) AHCYP2RY1P2RY12ENPP1LMNA

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-2017185061-A1 COMPOUNDS AND METHODS FOR TREATING NEUROLOGICAL AND CARDIOVASCULAR CONDITIONS ASTROCYTE PHARMACEUTICALS, INC. (US) 2017-10-26 WO disclosed