SCHEMBL26289790

SCHEMBL26289790

C[C@]1(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O[C@@H](n2cnc3c(N)nc(F)nc32)C[C@@H]1O

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ P2RY1 P47900 8/20 0.50
▸ P2RY2 P41231 3/20 0.50
▸ CA5A P35218 1/20 0.49
▸ P2RY11 Q96G91 2/20 0.46
▸ ENPP1 P22413 2/20 0.46
▸ P2RX1 P51575 2/20 0.46
▸ P2RX3 P56373 2/20 0.46
▸ P2RX4 Q99571 2/20 0.46
▸ P2RY6 Q15077 1/20 0.46
▸ P2RY12 Q9H244 1/20 0.45
▸ NT5E P21589 1/20 0.45
▸ AHCY P23526 3/20 0.44
▸ RNASEL Q05823 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
SCHEMBL26290018 0.90 P2RY1 (0.62) P2RY1P2RY2P2RY11ENPP1P2RX1
SCHEMBL31652871 0.89 P2RY1 (0.48) P2RY1P2RY2CA5AP2RY11ENPP1
SCHEMBL30590475 0.87 P2RY1 (0.48) P2RY1P2RY2CA5AP2RY11ENPP1
SCHEMBL19211131 0.87 P2RY1 (0.48) P2RY1P2RY2CA5AP2RY11ENPP1
SCHEMBL26289786 0.86 CA5A (0.47) P2RY1P2RY2CA5AP2RY11ENPP1
SCHEMBL25565236 0.85 P2RY1 (0.48) P2RY1P2RY2CA5AP2RY11ENPP1
SCHEMBL19993659 0.84 POLB (0.57) P2RY1P2RY2P2RY6NT5E
SCHEMBL25565235 0.84 CA5A (0.48) P2RY1P2RY2CA5AP2RY11ENPP1
SCHEMBL21100303 0.83 P2RY1 (0.52) P2RY1P2RY2CA5AP2RY11ENPP1
SCHEMBL24727781 0.81 ADORA2A (0.46) CA5ANT5EAHCY

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-2023178128-A1 METHODS OF TREATING MEDICAL CONDITIONS USING ISLATRAVIR OR A RELATED COMPOUND ROME THERAPEUTICS, INC. (US) 2023-09-21 — — WO disclosed
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