SCHEMBL20960075

SCHEMBL20960075

[N-]=[N+]=NC1(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C[C@@H](F)[C@H](c2ccc3c(N)ncnn23)O1

nearest known ligand 0.69

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLRMT O00411 1/20 0.69
P2RY1 P47900 5/20 0.36
P2RY2 P41231 4/20 0.36
P2RY11 Q96G91 1/20 0.36
P2RX3 P56373 6/20 0.32
P2RX4 Q99571 5/20 0.32
P2RX1 P51575 3/20 0.32
P2RX7 Q99572 1/20 0.31
P2RX2 Q9UBL9 2/20 0.31
RNASEL Q05823 1/20 0.30
ENPP1 P22413 1/20 0.30
P2RY4 P51582 1/20 0.30

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
SCHEMBL24942352 0.87 POLRMT (0.52) POLRMTP2RY1P2RY2P2RY11
SCHEMBL24942272 0.84 POLRMT (0.67) POLRMTP2RY1P2RY2P2RY11P2RX3
SCHEMBL16699054 0.84 POLRMT (0.85) POLRMTP2RY1P2RY2P2RY11P2RX3
SCHEMBL16699057 0.84 POLRMT (0.85) POLRMTP2RY1P2RY2P2RY11P2RX3
SCHEMBL19779220 0.84 POLRMT (0.85) POLRMTP2RY1P2RY2P2RY11P2RX3
SCHEMBL16698822 0.82 POLRMT (1.00) POLRMTP2RY1P2RY2P2RY11P2RX3
SCHEMBL16710440 0.82 POLRMT (0.82) POLRMTP2RY1P2RY2P2RY11P2RX3
SCHEMBL16698824 0.82 POLRMT (1.00) POLRMTP2RY1P2RY2P2RY11P2RX3
SCHEMBL19778887 0.82 POLRMT (1.00) POLRMTP2RY1P2RY2P2RY11P2RX3
SCHEMBL16699126 0.79 POLRMT (0.64) POLRMTP2RY1P2RY2P2RY11P2RX3

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-3068405-B1 PYRROLO [1,2,F][1,2,4]TRIAZINES USEFUL FOR TREATING RESPIRATORY SYNCITIAL VIRUS INFECTIONS GILEAD SCIENCES INC (US) 2019-05-01 EP disclosed