SCHEMBL19696031

SCHEMBL19696031

COP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)OCC1OC(n2cnc3c(=O)[nH]c(N)nc32)CC1O

nearest known ligand 0.62

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ DTYMK P23919 4/20 0.62
▸ P2RY2 P41231 1/20 0.61
▸ P2RY4 P51582 1/20 0.61
▸ P2RY6 Q15077 1/20 0.61
▸ POLB P06746 1/20 0.59
▸ RNASEL Q05823 6/20 0.57

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
SCHEMBL24771772 0.91 RNASEL (0.56) DTYMKRNASEL
SCHEMBL23477159 0.91 RNASEL (0.56) DTYMKRNASEL
SCHEMBL27378469 0.91 RNASEL (0.67) P2RY2RNASEL
SCHEMBL21127992 0.90 RNASEL (0.59) DTYMKP2RY2P2RY4P2RY6POLB
SCHEMBL18510887 0.90 RNASEL (0.62) DTYMKP2RY2P2RY4P2RY6POLB
SCHEMBL18521831 0.90 RNASEL (0.62) DTYMKP2RY2P2RY4P2RY6POLB
SCHEMBL18521832 0.90 RNASEL (0.62) DTYMKP2RY2P2RY4P2RY6POLB
SCHEMBL18520789 0.90 RNASEL (0.62) DTYMKP2RY2P2RY4P2RY6POLB
SCHEMBL22399397 0.89 POLB (0.59) DTYMKP2RY2P2RY4P2RY6POLB
SCHEMBL13421166 0.89 P2RY2 (0.77) DTYMKP2RY2P2RY4P2RY6POLB

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-9840533-B2 Compositions and methods for altering second messenger signaling MEMORIAL SLOAN KETTERING CANCER CENTER (US) 2017-12-12 — — US disclosed
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