SCHEMBL29318562

SCHEMBL29318562

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

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADCY5 O95622 5/20 0.48
P2RY1 P47900 6/20 0.45
ADORA3 P0DMS8 3/20 0.45
ADORA2A P29274 1/20 0.44
AHCY P23526 1/20 0.42
ENPP1 P22413 1/20 0.42
P2RY12 Q9H244 1/20 0.42

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
SCHEMBL19503356 1.00 ADCY5 (0.48) ADCY5P2RY1ADORA3ADORA2AAHCY
SCHEMBL10475246 0.84 AHCY (0.58) ADCY5ADORA3ADORA2AAHCY
SCHEMBL19503483 0.82 PDE4D (0.57) ADCY5ADORA3ADORA2A
SCHEMBL19503306 0.82 PDE4D (0.57) ADCY5ADORA3ADORA2A
SCHEMBL29319046 0.81 P2RY1 (0.42) P2RY1ADORA2AENPP1P2RY12
SCHEMBL19503474 0.81 AHCY (0.49) P2RY1ADORA3AHCYENPP1P2RY12
SCHEMBL11363312 0.79 ADORA2A (0.58) P2RY1ADORA3ADORA2AENPP1P2RY12
SCHEMBL10474172 0.78 ADCY5 (0.74) ADCY5ADORA3ADORA2AAHCY
SCHEMBL12330956 0.77 AHCY (0.56) P2RY1AHCYENPP1P2RY12
SCHEMBL16290177 0.77 AHCY (0.56) P2RY1AHCYENPP1P2RY12

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