SCHEMBL5694206

SCHEMBL5694206

C=CCOP(=O)(OCCC#N)O[C@H]1[C@@H](F)[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](F)[C@@H]1O

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ P2RY12 Q9H244 2/20 0.36
▸ P2RY2 P41231 1/20 0.36
▸ P2RY1 P47900 1/20 0.36
▸ P2RY6 Q15077 1/20 0.36
▸ P2RX3 P56373 3/20 0.35
▸ P2RX2 Q9UBL9 3/20 0.35
▸ P2RX4 Q99571 2/20 0.34
▸ PRMT6 Q96LA8 1/20 0.34
▸ DNPH1 O43598 2/20 0.34
▸ TAS1R3 Q7RTX0 2/20 0.34
▸ TAS1R1 Q7RTX1 2/20 0.34
▸ NT5E P21589 5/20 0.33
▸ IMPDH2 P12268 1/20 0.33
▸ KRAS P01116 1/20 0.33
▸ ENPP1 P22413 1/20 0.33

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
SCHEMBL5694326 0.92 P2RY6 (0.37) P2RY2P2RY6TAS1R3TAS1R1NT5E
SCHEMBL5694266 0.92 P2RY12 (0.35) P2RY12P2RY2P2RY1P2RY6P2RX3
SCHEMBL5694292 0.91 IMPDH2 (0.39) P2RX3TAS1R3TAS1R1NT5EIMPDH2
SCHEMBL5908163 0.87 TERT (0.35) P2RY12P2RY2P2RY1P2RY6PRMT6
SCHEMBL5694309 0.84 P2RY6 (0.35) P2RY2P2RY6TAS1R3TAS1R1NT5E
SCHEMBL5694286 0.82 IMPDH2 (0.36) TAS1R3TAS1R1NT5EIMPDH2KRAS
SCHEMBL5694261 0.81 P2RY12 (0.42) P2RY12P2RY2P2RY1P2RY6P2RX3
SCHEMBL17860596 0.80 KDM4E (0.41) P2RY12P2RY2P2RY1P2RY6PRMT6
SCHEMBL5908148 0.79 POLB (0.35) P2RY2P2RY1P2RY6TAS1R3TAS1R1
SCHEMBL22336699 0.79 KDM4E (0.40) P2RY12P2RY2P2RY1P2RY6DNPH1

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
Send feedback