SCHEMBL21880607

SCHEMBL21880607

[N-]=[N+]=N[C@]1(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O[C@@H](c2csc3c(N)ncnc23)C[C@@H]1O

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ POLRMT O00411 1/20 0.50
▸ P2RY2 P41231 3/20 0.38
▸ P2RY1 P47900 3/20 0.38
▸ P2RY11 Q96G91 1/20 0.38
▸ P2RX1 P51575 3/20 0.34
▸ P2RX3 P56373 3/20 0.34
▸ P2RX2 Q9UBL9 1/20 0.34
▸ P2RX4 Q99571 2/20 0.34
▸ RNASEL Q05823 2/20 0.34
▸ LDHA P00338 1/20 0.32
▸ LDHB P07195 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ ENPP1 P22413 1/20 0.32
▸ ENTPD1 P49961 1/20 0.32

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
SCHEMBL21880598 1.00 POLRMT (0.50) POLRMTP2RY2P2RY1P2RY11P2RX1
SCHEMBL19644660 0.85 POLRMT (0.54) POLRMTP2RY2P2RY1P2RY11P2RX1
SCHEMBL17453492 0.85 POLRMT (0.54) POLRMTP2RY2P2RY1P2RY11P2RX1
SCHEMBL17453490 0.85 POLRMT (0.54) POLRMTP2RY2P2RY1P2RY11P2RX1
SCHEMBL19644584 0.85 POLRMT (0.54) POLRMTP2RY2P2RY1P2RY11P2RX1
SCHEMBL17453484 0.85 POLRMT (0.54) POLRMTP2RY2P2RY1P2RY11P2RX1
SCHEMBL21137369 0.85 POLRMT (0.54) POLRMTP2RY2P2RY1P2RY11P2RX1
SCHEMBL17453487 0.85 POLRMT (0.54) POLRMTP2RY2P2RY1P2RY11P2RX1
SCHEMBL21880799 0.83 POLRMT (0.42) POLRMTP2RY2P2RY1P2RY11P2RX1
SCHEMBL19962232 0.82 HIF1A (0.34) —

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-3174870-B1 THIENO [3,2-D]PYRIMIDINES, FURO [3,2,D]PYRIMIDINES AND PYRROLO [3,2-D]PYRIMIDINES USEFUL FOR TREATING RESPIRATORY SYNCITIAL VIRUS INFECTIONS GILEAD SCIENCES INC (US) 2020-04-15 — — EP disclosed
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