SCHEMBL19503889

SCHEMBL19503889

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

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
P2RY1 P47900 10/20 0.47
ENPP1 P22413 2/20 0.44
P2RY12 Q9H244 2/20 0.44
P2RY11 Q96G91 3/20 0.44
BLM P54132 2/20 0.44
LMNA P02545 1/20 0.44
KMT2A Q03164 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
P2RX1 P51575 1/20 0.44
P2RX3 P56373 1/20 0.44
P2RY6 Q15077 1/20 0.44
P2RX4 Q99571 1/20 0.44
PMP22 Q01453 1/20 0.43

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
SCHEMBL29319924 0.78 AHCY (0.57) P2RY1ENPP1P2RY12LMNA
SCHEMBL22399995 0.78 AHCY (0.57) P2RY1ENPP1P2RY12LMNA
SCHEMBL19503898 0.76 AHCY (0.73) P2RY1
SCHEMBL19503479 0.76 AHCY (0.73) P2RY1
SCHEMBL22399999 0.76 AHCY (0.73) P2RY1
SCHEMBL16290177 0.75 AHCY (0.56) P2RY1ENPP1P2RY12P2RY11BLM
SCHEMBL12330956 0.75 AHCY (0.56) P2RY1ENPP1P2RY12P2RY11BLM
SCHEMBL23098404 0.74 P2RY1 (0.52) P2RY1ENPP1P2RY12P2RY11BLM
SCHEMBL22399998 0.74 P2RY1 (0.52) P2RY1ENPP1P2RY12P2RY11BLM
SCHEMBL19807561 0.74 P2RY1 (0.52) P2RY1ENPP1P2RY12P2RY11BLM

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