SCHEMBL19503941

SCHEMBL19503941

CSc1nc(N)c2ncn([C@@H]3C[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C[C@H]3O)c2n1

nearest known ligand 0.68

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ P2RY1 P47900 10/20 0.68
▸ P2RY11 Q96G91 4/20 0.68
▸ ENPP1 P22413 3/20 0.68
▸ P2RX1 P51575 1/20 0.68
▸ P2RX3 P56373 1/20 0.68
▸ P2RY6 Q15077 1/20 0.68
▸ P2RX4 Q99571 1/20 0.68
▸ P2RY12 Q9H244 2/20 0.66

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
SCHEMBL19503942 0.99 P2RY1 (0.67) P2RY1P2RY11ENPP1P2RX1P2RX3
SCHEMBL19503345 0.88 P2RY1 (0.57) P2RY1P2RY11ENPP1P2RX1P2RX3
SCHEMBL19503471 0.87 P2RY1 (0.68) P2RY1P2RY11ENPP1P2RX1P2RX3
SCHEMBL21257341 0.83 P2RX1 (0.60) P2RY1P2RY11P2RX1P2RX3P2RX4
SCHEMBL21257342 0.82 P2RY1 (0.69) P2RY1P2RY11ENPP1P2RX1P2RX3
SCHEMBL375601 0.81 P2RY1 (1.00) P2RY1P2RY11ENPP1P2RX1P2RX3
SCHEMBL29381860 0.81 P2RY1 (1.00) P2RY1P2RY11ENPP1P2RX1P2RX3
SCHEMBL375602 0.81 P2RY1 (1.00) P2RY1P2RY11ENPP1P2RX1P2RX3
SCHEMBL10120953 0.81 P2RY1 (1.00) P2RY1P2RY11ENPP1P2RX1P2RX3
SCHEMBL21257386 0.80 P2RY1 (0.70) P2RY1P2RY11ENPP1P2RX1P2RX3

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
WO-2019157317-A1 COMPOUNDS AND METHODS FOR TREATING ADDICTION AND RELATED DISORDERS ASTROCYTE PHARMACEUTICALS, INC. (US) 2019-08-15 — — WO disclosed
WO-2017185061-A1 COMPOUNDS AND METHODS FOR TREATING NEUROLOGICAL AND CARDIOVASCULAR CONDITIONS ASTROCYTE PHARMACEUTICALS, INC. (US) 2017-10-26 — — WO disclosed
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