SCHEMBL18763551

SCHEMBL18763551

CO[C@@H]1[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@@H]2CN(C)C[C@H](N3CN(C)c4c3nc(N)[nH]c4=O)O2)O[C@H]1n1cnc2c(=O)[nH]c(N)nc21

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FUT5 Q11128 1/20 0.53
TGM2 P21980 1/20 0.52
KRAS P01116 6/20 0.50
P2RY2 P41231 1/20 0.49
P2RY4 P51582 1/20 0.49
P2RY6 Q15077 1/20 0.49
NT5E P21589 1/20 0.48
DCPS Q96C86 1/20 0.47
TAS1R3 Q7RTX0 1/20 0.47
TAS1R1 Q7RTX1 1/20 0.47
P2RX3 P56373 1/20 0.45
RNASEL Q05823 1/20 0.44
POLB P06746 1/20 0.43
IMPDH2 P12268 1/20 0.43
IMPDH1 P20839 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
SCHEMBL18763550 0.96 TGM2 (0.50) FUT5TGM2KRASP2RY2P2RY4
SCHEMBL18763552 0.93 FUT5 (0.51) FUT5TGM2KRASP2RY2P2RY4
SCHEMBL18763554 0.90 FUT5 (0.48) FUT5TGM2KRASP2RY2P2RY4
SCHEMBL18769520 0.90 FUT5 (0.48) FUT5TGM2KRASP2RY2P2RY4
SCHEMBL18763204 0.90 TGM2 (0.57) FUT5TGM2KRASP2RY2P2RY4
SCHEMBL18763613 0.90 TGM2 (0.57) FUT5TGM2KRASP2RY2P2RY4
SCHEMBL18769124 0.89 TGM2 (0.63) FUT5TGM2KRASP2RY2P2RY4
SCHEMBL18769061 0.88 FUT5 (0.55) FUT5TGM2KRASP2RY2P2RY4
SCHEMBL18763919 0.87 FUT5 (0.57) FUT5TGM2KRASP2RY2P2RY4
SCHEMBL29313147 0.86 FUT5 (0.58) FUT5TGM2KRASP2RY2P2RY4

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-2017066789-A1 MRNA CAP ANALOGS WITH MODIFIED SUGAR MODERNATX, INC. (US) 2017-04-20 WO disclosed
WO-2017066793-A1 MRNA CAP ANALOGS AND METHODS OF MRNA CAPPING MODERNATX, INC. (US) 2017-04-20 WO disclosed