SCHEMBL19503345

SCHEMBL19503345

CNc1nc(SC)nc2c1ncn2[C@@H]1C[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C[C@H]1O

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ P2RY1 P47900 9/20 0.57
▸ P2RY11 Q96G91 3/20 0.53
▸ ENPP1 P22413 2/20 0.53
▸ P2RX1 P51575 1/20 0.53
▸ P2RX3 P56373 1/20 0.53
▸ P2RY6 Q15077 1/20 0.53
▸ P2RX4 Q99571 1/20 0.53
▸ P2RY12 Q9H244 1/20 0.51
▸ P2RY2 P41231 2/20 0.49
▸ GPR17 Q13304 1/20 0.47

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
SCHEMBL19503941 0.88 P2RY1 (0.68) P2RY1P2RY11ENPP1P2RX1P2RX3
SCHEMBL25613500 0.87 P2RY1 (0.52) P2RY1P2RY11ENPP1P2RX1P2RX3
SCHEMBL19503942 0.87 P2RY1 (0.67) P2RY1P2RY11ENPP1P2RX1P2RX3
SCHEMBL21257359 0.83 P2RY1 (0.59) P2RY1P2RY11ENPP1P2RX1P2RX3
SCHEMBL19807533 0.82 P2RY1 (0.58) P2RY1P2RY11ENPP1P2RX1P2RX3
SCHEMBL19503346 0.78 P2RY1 (0.56) P2RY1P2RY11ENPP1P2RX1P2RX3
SCHEMBL19503349 0.77 P2RY1 (0.67) P2RY1
SCHEMBL19807534 0.77 P2RY1 (0.79) P2RY1P2RY11P2RY2
SCHEMBL19464929 0.77 P2RY1 (0.68) P2RY1P2RY11ENPP1P2RX1P2RX3
SCHEMBL19464930 0.76 P2RY1 (0.68) 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 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
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