SCHEMBL29319046

SCHEMBL29319046

CSc1nc(N)c2ncn(C3CCC([C@H](C)O)C3)c2n1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
P2RY1 P47900 11/20 0.42
ADORA2A P29274 1/20 0.40
ENPP1 P22413 2/20 0.40
P2RY12 Q9H244 2/20 0.40
P2RY11 Q96G91 3/20 0.39
LMNA P02545 1/20 0.39
BLM P54132 1/20 0.39
KMT2A Q03164 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
P2RX1 P51575 1/20 0.39
P2RX3 P56373 1/20 0.39
P2RY6 Q15077 1/20 0.39
P2RX4 Q99571 1/20 0.39
HTR2C P28335 1/20 0.39
HTR2B P41595 1/20 0.39

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 0.81 ADCY5 (0.48) P2RY1ADORA2AENPP1P2RY12
SCHEMBL29318562 0.81 ADCY5 (0.48) P2RY1ADORA2AENPP1P2RY12
SCHEMBL11363312 0.78 ADORA2A (0.58) P2RY1ADORA2AENPP1P2RY12BLM
SCHEMBL19503474 0.73 AHCY (0.49) P2RY1ENPP1P2RY12LMNABLM
SCHEMBL19464993 0.71 ADORA3 (0.69) P2RY1ADORA2A
SCHEMBL22933143 0.71 ADORA3 (0.69) P2RY1ADORA2A
SCHEMBL25566750 0.71 ADORA3 (0.69) P2RY1ADORA2A
SCHEMBL19464998 0.71 ADORA3 (0.69) P2RY1ADORA2A
SCHEMBL598755 0.71 ADORA2A (0.62) ADORA2ABLM
SCHEMBL12330956 0.70 AHCY (0.56) P2RY1ENPP1P2RY12P2RY11LMNA

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