SCHEMBL19644762

SCHEMBL19644762

C[C@@]1(F)C(O)[C@@H](COP(=O)(O)Oc2ccccc2)O[C@H]1n1cnc2c(=O)[nH]c(N)nc21

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TGM2 P21980 1/20 0.51
▸ NT5E P21589 1/20 0.50
▸ TAS1R3 Q7RTX0 1/20 0.48
▸ TAS1R1 Q7RTX1 1/20 0.48
▸ FUT5 Q11128 1/20 0.48
▸ POLB P06746 1/20 0.48
▸ KRAS P01116 6/20 0.47
▸ P2RY2 P41231 1/20 0.46
▸ P2RY4 P51582 1/20 0.46
▸ P2RY6 Q15077 1/20 0.46
▸ HINT1 P49773 1/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ CYP2C9 P11712 1/20 0.45
▸ DCPS Q96C86 1/20 0.44
▸ IMPDH2 P12268 1/20 0.44

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
SCHEMBL18061565 1.00 TGM2 (0.51) TGM2NT5ETAS1R3TAS1R1FUT5
SCHEMBL12849789 0.88 TGM2 (0.58) TGM2NT5ETAS1R3TAS1R1FUT5
SCHEMBL12878145 0.88 TGM2 (0.58) TGM2NT5ETAS1R3TAS1R1FUT5
SCHEMBL12799375 0.88 TGM2 (0.58) TGM2NT5ETAS1R3TAS1R1FUT5
SCHEMBL18061560 0.88 TGM2 (0.58) TGM2NT5ETAS1R3TAS1R1FUT5
SCHEMBL12849790 0.88 NT5E (0.56) TGM2NT5ETAS1R3TAS1R1FUT5
SCHEMBL12799371 0.88 NT5E (0.56) TGM2NT5ETAS1R3TAS1R1FUT5
SCHEMBL19822430 0.88 NT5E (0.56) TGM2NT5ETAS1R3TAS1R1FUT5
SCHEMBL12878136 0.88 NT5E (0.56) TGM2NT5ETAS1R3TAS1R1FUT5
SCHEMBL18061808 0.88 NT5E (0.56) TGM2NT5ETAS1R3TAS1R1FUT5

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
US-9828410-B2 β-D-2′-deoxy-2′-α-fluoro-2′-β-C-substituted-2-modified-N6-substituted purine nucleotides for HCV treatment Atea Pharmaceuticals, Inc. (US) 2017-11-28 — — US disclosed
Send feedback