SCHEMBL6906442

SCHEMBL6906442

Nc1nc2nc(C3O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@@H]3O)[nH]c2c(=O)[nH]1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
P2RY2 P41231 13/20 0.48
P2RY4 P51582 5/20 0.48
TGM2 P21980 1/20 0.45
KRAS P01116 1/20 0.43
P2RY6 Q15077 2/20 0.43
P2RX3 P56373 1/20 0.43
FUT5 Q11128 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
SCHEMBL3141537 0.82 P2RY2 (0.47) P2RY2P2RY4TGM2KRASP2RY6
SCHEMBL7200251 0.81 PNP (0.37) FUT5
SCHEMBL3146413 0.80 P2RY2 (0.45) P2RY2P2RY4TGM2KRASP2RY6
SCHEMBL10661597 0.78 PNP (0.47)
SCHEMBL375988 0.78 PNP (0.47)
SCHEMBL313768 0.78 PNP (0.47)
SCHEMBL1682962 0.78 PNP (0.47)
SCHEMBL8789697 0.78 PNP (0.47)
SCHEMBL7948406 0.78 PNP (0.47)
SCHEMBL2185989 0.78 PNP (0.47)

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
WO-2004012746-A2 NEW USES FOR INHIBITORS OF INOSINE MONOPHOSPHATE DEHYDROGENASE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2004-02-12 WO claimed
WO-2004012746-A2 NEW USES FOR INHIBITORS OF INOSINE MONOPHOSPHATE DEHYDROGENASE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2004-02-12 WO disclosed