SCHEMBL29317654

SCHEMBL29317654

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

nearest known ligand 0.68

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ P2RY1 P47900 13/20 0.68
▸ ENPP1 P22413 3/20 0.53
▸ P2RY12 Q9H244 1/20 0.53
▸ P2RY11 Q96G91 3/20 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

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
SCHEMBL21257386 0.93 P2RY1 (0.70) P2RY1ENPP1P2RY12P2RY11P2RX1
SCHEMBL24178110 0.92 P2RY1 (0.62) P2RY1ENPP1P2RY12P2RY11P2RX1
SCHEMBL21257364 0.88 P2RY1 (0.66) P2RY1
SCHEMBL16258261 0.87 P2RY1 (0.66) P2RY1P2RY11
SCHEMBL19807561 0.85 P2RY1 (0.52) P2RY1ENPP1P2RY12P2RY11P2RX1
SCHEMBL19503291 0.85 P2RY1 (0.52) P2RY1ENPP1P2RY12P2RY11P2RX1
SCHEMBL22399998 0.85 P2RY1 (0.52) P2RY1ENPP1P2RY12P2RY11P2RX1
SCHEMBL19465002 0.85 P2RY1 (0.52) P2RY1ENPP1P2RY12P2RY11P2RX1
SCHEMBL23098404 0.85 P2RY1 (0.52) P2RY1ENPP1P2RY12P2RY11P2RX1
SCHEMBL19464889 0.85 P2RY1 (0.52) P2RY1ENPP1P2RY12P2RY11P2RX1

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
EP-3445368-B1 COMPOUNDS AND METHODS FOR TREATING NEUROLOGICAL AND CARDIOVASCULAR CONDITIONS ASTROCYTE PHARMACEUTICALS INC (US) 2024-07-17 — — EP disclosed
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