SCHEMBL6904604

SCHEMBL6904604

Nc1ncnc2c1ncn2[C@H]1C[C@H](OP(N)O)[C@@H](COCc2ccccc2)O1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AHCY P23526 3/20 0.47
HSPA5 P11021 1/20 0.45
POLB P06746 1/20 0.45
P2RY1 P47900 2/20 0.44
ENPP1 P22413 2/20 0.44
PDE2A O00408 2/20 0.44
P2RY12 Q9H244 3/20 0.43
P2RY2 P41231 1/20 0.43
ADORA1 P30542 2/20 0.42
NT5E P21589 1/20 0.42
ADA P00813 1/20 0.42
DOT1L Q8TEK3 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
SCHEMBL1140505 0.86 POLB (0.60) AHCYHSPA5POLBP2RY1ENPP1
SCHEMBL10430363 0.85 TYMP (0.54) AHCYPOLBP2RY1ENPP1P2RY12
SCHEMBL10431698 0.85 AHCY (0.49) AHCYHSPA5POLBP2RY1ENPP1
SCHEMBL7739553 0.85 POLB (0.49) AHCYPOLBP2RY1ENPP1P2RY2
SCHEMBL7075864 0.83 ADA (0.54) AHCYPOLBP2RY1ENPP1ADORA1
SCHEMBL31206982 0.83 ADA (0.54) AHCYPOLBP2RY1ENPP1ADORA1
SCHEMBL1140532 0.83 P2RY12 (0.54) POLBP2RY1ENPP1P2RY12P2RY2
SCHEMBL3185273 0.80 POLB (0.43) AHCYPOLBP2RY1ENPP1P2RY12
SCHEMBL7805218 0.77 ADORA1 (0.45) AHCYADORA1ADA
SCHEMBL10697042 0.77 BCHE (0.53) AHCYHSPA5PDE2AP2RY12ADORA1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0866071-B1 Modified primers HOFFMANN LA ROCHE (CH) 2004-10-20 EP disclosed
EP-0866071-A2 Modified primers F. HOFFMANN-LA ROCHE AG (CH) 1998-09-23 EP disclosed