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SCHEMBL18769384

SCHEMBL18769384

Nc1nc2c(ncn2CC2OC(COP(=O)(O)OCC(COP(=O)(O)OCC3OC(n4cnc5c(=O)[nH]c(N)nc54)[C@H](O)[C@@H]3O)OP(=O)(O)O)C(O)C2O)c(=O)[nH]1

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TGM2 P21980 1/20 0.64
▸ NT5E P21589 1/20 0.64
▸ KRAS P01116 8/20 0.59
▸ FUT5 Q11128 1/20 0.58
▸ IMPDH2 P12268 5/20 0.57
▸ P2RY2 P41231 1/20 0.56
▸ P2RY4 P51582 1/20 0.56
▸ P2RY6 Q15077 1/20 0.56
▸ IMPDH1 P20839 1/20 0.55
▸ HINT1 P49773 1/20 0.54
▸ P2RX3 P56373 1/20 0.53
▸ DCPS Q96C86 1/20 0.53

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
SCHEMBL18769144 0.95 NT5E (0.71) TGM2NT5EKRASFUT5IMPDH2
SCHEMBL18741084 0.95 NT5E (0.71) TGM2NT5EKRASFUT5IMPDH2
SCHEMBL21171852 0.95 NT5E (0.71) TGM2NT5EKRASFUT5IMPDH2
SCHEMBL18758957 0.95 NT5E (0.71) TGM2NT5EKRASFUT5IMPDH2
SCHEMBL21162739 0.91 TGM2 (0.66) TGM2NT5EKRASFUT5IMPDH2
SCHEMBL21184245 0.91 TGM2 (0.66) TGM2NT5EKRASFUT5IMPDH2
SCHEMBL21725246 0.88 TGM2 (0.65) TGM2NT5EKRASFUT5IMPDH2
SCHEMBL18769147 0.88 TGM2 (0.62) TGM2NT5EKRASFUT5IMPDH2
SCHEMBL8202050 0.87 NT5E (0.83) TGM2NT5EKRASFUT5IMPDH2
SCHEMBL21184381 0.85 TGM2 (0.64) TGM2NT5EKRASFUT5IMPDH2

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