SCHEMBL29318012

SCHEMBL29318012

CNc1nc(Cl)nc2c1ncn2[C@@H]1C2C[C@@]2(COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O

nearest known ligand 0.98

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ P2RY1 P47900 12/20 0.98
▸ P2RY2 P41231 5/20 0.98
▸ ADORA3 P0DMS8 4/20 0.69
▸ HTR2B P41595 3/20 0.69
▸ HTR2C P28335 2/20 0.69
▸ P2RY11 Q96G91 1/20 0.62
▸ ADORA1 P30542 2/20 0.58
▸ TMIGD3 P0DMS9 1/20 0.55
▸ ADORA2A P29274 1/20 0.55

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
SCHEMBL19503293 0.99 P2RY1 (1.00) P2RY1P2RY2ADORA3HTR2BHTR2C
SCHEMBL29318022 0.93 P2RY1 (0.86) P2RY1P2RY2ADORA3HTR2BHTR2C
SCHEMBL19807425 0.92 P2RY1 (0.84) P2RY1P2RY2ADORA3HTR2BHTR2C
SCHEMBL19464972 0.91 P2RY1 (0.85) P2RY1P2RY2ADORA3HTR2BHTR2C
SCHEMBL19459517 0.91 P2RY1 (0.82) P2RY1P2RY2ADORA3HTR2BHTR2C
SCHEMBL19459473 0.90 P2RY1 (0.83) P2RY1P2RY2ADORA3HTR2BHTR2C
SCHEMBL19807534 0.89 P2RY1 (0.79) P2RY1P2RY2ADORA3HTR2BHTR2C
SCHEMBL21710863 0.87 P2RY1 (0.98) P2RY1P2RY2ADORA3P2RY11
SCHEMBL26934770 0.87 P2RY1 (0.98) P2RY1P2RY2ADORA3P2RY11
SCHEMBL19459900 0.87 P2RY1 (0.98) P2RY1P2RY2ADORA3P2RY11ADORA1

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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