SCHEMBL1743434

SCHEMBL1743434

C[C@@]1(n2cnc3c(=O)[nH]c(N)nc32)O[C@H](COP(N)(=O)O)[C@@H](O)[C@H]1O

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NT5E P21589 1/20 0.51
TGM2 P21980 1/20 0.47
POLB P06746 1/20 0.46
KRAS P01116 12/20 0.45
FUT5 Q11128 1/20 0.45
HPRT1 P00492 1/20 0.44
TAS1R3 Q7RTX0 1/20 0.44
TAS1R1 Q7RTX1 1/20 0.44
HINT1 P49773 1/20 0.43
P2RY2 P41231 1/20 0.43
P2RY4 P51582 1/20 0.43
P2RY6 Q15077 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
SCHEMBL14659959 0.94 NT5E (0.51) NT5ETGM2POLBKRASFUT5
SCHEMBL309062 0.90 TGM2 (0.53) NT5ETGM2POLBKRASFUT5
SCHEMBL4076696 0.90 POLG (0.53) NT5ETGM2POLBKRASFUT5
SCHEMBL28252468 0.85 HINT1 (0.44) NT5ETGM2HINT1
Triphosphate SCHEMBL28238456 0.85 PNP (0.49) NT5ETGM2POLBKRASFUT5
SCHEMBL13626438 0.85 ADORA3 (0.47) NT5EHINT1
SCHEMBL18537401 0.85 ADORA3 (0.47) NT5EHINT1
SCHEMBL14620703 0.85 ADORA3 (0.47) NT5EHINT1
SCHEMBL116166 0.85 ADORA3 (0.47) NT5EHINT1
SCHEMBL16258667 0.85 ADORA3 (0.47) NT5EHINT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2385951-A2 PHOSPHORAMIDATE DERIVATIVES OF GUANOSINE NUCLEOSIDE COMPOUNDS FOR TREATMENT OF VIRAL INFECTIONS University College Cardiff Consultants, Ltd. (GB) 2011-11-16 EP disclosed
US-20110254856-A1 MOBILE TERMINAL AND METHOD OF CONTROLLING OPERATION OF THE MOBILE TERMINAL LG ELECTRONICS INC. (KR) 2011-10-20 US disclosed
WO-2010081082-A2 PHOSPHORAMIDATE DERIVATIVES OF GUANOSINE NUCLEOSIDE COMPOUNDS FOR TREATMENT OF VIRAL INFECTIONS UNIVERSITY COLLEGE OF CARDIFF CONSULTANTS LIMITED (GB) 2010-07-15 WO disclosed