SCHEMBL5694266

SCHEMBL5694266

C=CCOP(=O)(OCCC#N)O[C@H]1[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](n2cnc3c(NC(=O)c4ccccc4)ncnc32)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 20)

geneUniProtsupporting neighboursconfidence
▸ P2RY12 Q9H244 4/20 0.35
▸ P2RY2 P41231 2/20 0.35
▸ P2RY1 P47900 1/20 0.35
▸ P2RY6 Q15077 1/20 0.35
▸ PRMT6 Q96LA8 1/20 0.34
▸ TAS1R3 Q7RTX0 2/20 0.33
▸ TAS1R1 Q7RTX1 2/20 0.33
▸ P2RX3 P56373 4/20 0.33
▸ P2RX2 Q9UBL9 4/20 0.33
▸ P2RX4 Q99571 3/20 0.33
▸ ENPP1 P22413 1/20 0.32
▸ DNPH1 O43598 2/20 0.32
▸ IMPDH2 P12268 1/20 0.32
▸ KRAS P01116 1/20 0.32
▸ P2RX6 O15547 1/20 0.32
▸ P2RX1 P51575 1/20 0.32
▸ P2RX5 Q93086 1/20 0.32
▸ P2RY11 Q96G91 1/20 0.32
▸ P2RX7 Q99572 1/20 0.32
▸ GAPDH P04406 1/20 0.31

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
SCHEMBL5694309 0.92 P2RY6 (0.35) P2RY2P2RY6TAS1R3TAS1R1ENPP1
SCHEMBL5694206 0.92 P2RY12 (0.36) P2RY12P2RY2P2RY1P2RY6PRMT6
SCHEMBL5694286 0.92 IMPDH2 (0.36) TAS1R3TAS1R1IMPDH2KRAS
SCHEMBL5908163 0.85 TERT (0.35) P2RY12P2RY2P2RY1P2RY6PRMT6
SCHEMBL5694326 0.84 P2RY6 (0.37) P2RY2P2RY6TAS1R3TAS1R1IMPDH2
SCHEMBL5694292 0.82 IMPDH2 (0.39) TAS1R3TAS1R1P2RX3IMPDH2KRAS
SCHEMBL5694092 0.82 P2RY12 (0.40) P2RY12P2RY2P2RY1P2RY6PRMT6
SCHEMBL5694277 0.79 TAS1R3 (0.36) TAS1R3TAS1R1IMPDH2KRAS
SCHEMBL5694137 0.79 IMPDH2 (0.38) TAS1R3TAS1R1IMPDH2KRAS
SCHEMBL5694197 0.79 P2RY12 (0.42) P2RY12P2RY2P2RY1P2RY6PRMT6

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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