SCHEMBL19146239

SCHEMBL19146239

COC[C@@H]1CC[C@H](n2cnc3c(NC(=O)c4ccccc4)ncnc32)O1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 4/20 0.44
CYP1A2 P05177 1/20 0.44
PRMT6 Q96LA8 1/20 0.44
ABL1 P00519 3/20 0.44
RIN1 Q13671 3/20 0.44
ADORA3 P0DMS8 1/20 0.43
BCHE P06276 1/20 0.42
P2RY2 P41231 1/20 0.42
P2RY1 P47900 1/20 0.42
P2RY6 Q15077 1/20 0.42
NR2F2 P24468 2/20 0.42
GALR3 O60755 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
SCHEMBL21540034 0.90 P2RY12 (0.44) P2RY12CYP1A2PRMT6ABL1RIN1
SCHEMBL25293 0.90 P2RY12 (0.48) P2RY12P2RY2P2RY1P2RY6
SCHEMBL21726069 0.89 P2RY12 (0.55) P2RY12P2RY2P2RY1P2RY6
SCHEMBL21263848 0.89 P2RY12 (0.44) P2RY12CYP1A2PRMT6ABL1RIN1
SCHEMBL19343832 0.89 ABL1 (0.56) CYP1A2ABL1RIN1NR2F2GALR3
SCHEMBL25004 0.89 ABL1 (0.56) CYP1A2ABL1RIN1NR2F2GALR3
SCHEMBL12652414 0.89 UBA6 (0.47) P2RY12CYP1A2PRMT6ABL1RIN1
SCHEMBL20692061 0.88 P2RY12 (0.45) P2RY12P2RY2P2RY1P2RY6
SCHEMBL19146448 0.88 CYP1A2 (0.48) P2RY12CYP1A2PRMT6ABL1RIN1
SCHEMBL23621388 0.88 P2RY12 (0.44) P2RY12CYP1A2PRMT6ABL1RIN1

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-2017123669-A1 CYCLIC DINUCLEOTIDES FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY SUCH AS CANCER GLICK GARY (US) 2017-07-20 WO disclosed