SCHEMBL5694309

SCHEMBL5694309

C=CCOP(=O)(OCCC#N)O[C@H]1[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](n2ccc(NC(=O)c3ccccc3)nc2=O)O[C@@H]1COP(=O)(O)OC(CCC#N)[C@H]1O[C@@H](n2cnc3c(=O)[nH]c(N=CN(C)C)nc32)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ P2RY6 Q15077 8/20 0.35
▸ P2RY14 Q15391 2/20 0.35
▸ NT5E P21589 1/20 0.34
▸ P2RY2 P41231 5/20 0.33
▸ P2RY4 P51582 5/20 0.33
▸ TAS1R3 Q7RTX0 2/20 0.33
▸ TAS1R1 Q7RTX1 2/20 0.33
▸ IMPDH2 P12268 5/20 0.32
▸ KRAS P01116 1/20 0.32
▸ P2RY11 Q96G91 1/20 0.31
▸ TGM2 P21980 1/20 0.30
▸ IMPDH1 P20839 2/20 0.30
▸ ENPP1 P22413 1/20 0.30

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
SCHEMBL5694266 0.92 P2RY12 (0.35) P2RY6P2RY2TAS1R3TAS1R1IMPDH2
SCHEMBL5694326 0.92 P2RY6 (0.37) P2RY6P2RY14NT5EP2RY2P2RY4
SCHEMBL5694286 0.91 IMPDH2 (0.36) NT5ETAS1R3TAS1R1IMPDH2KRAS
SCHEMBL5694277 0.87 TAS1R3 (0.36) TAS1R3TAS1R1IMPDH2KRASIMPDH1
SCHEMBL5908148 0.84 POLB (0.35) P2RY6P2RY14NT5EP2RY2P2RY4
SCHEMBL5694206 0.84 P2RY12 (0.36) P2RY6NT5EP2RY2TAS1R3TAS1R1
SCHEMBL5694292 0.82 IMPDH2 (0.39) NT5ETAS1R3TAS1R1IMPDH2KRAS
SCHEMBL5908151 0.80 P2RY6 (0.42) P2RY6P2RY14NT5EP2RY2P2RY4
SCHEMBL5694137 0.79 IMPDH2 (0.38) NT5ETAS1R3TAS1R1IMPDH2KRAS
SCHEMBL5908143 0.78 TAS1R3 (0.38) P2RY6NT5EP2RY2P2RY4TAS1R3

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
EP-1645561-A1 METHOD OF SYNTHESIZING CYCLIC BISDINUCLEOSIDE Mitsui Chemicals, Inc. (JP) 2006-04-12 — — EP disclosed
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