SCHEMBL20943606

SCHEMBL20943606

CCOC(=O)C(C)NP(=O)(OC[C@@]1(C#N)O[C@@H](c2ccc3c(N)ncnn23)[C@H](O)[C@@H]1O)Oc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ POLRMT O00411 1/20 0.41
▸ CYP3A4 P08684 2/20 0.35
▸ CYP2C9 P11712 2/20 0.35
▸ BTN3A1 O00481 7/20 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
SCHEMBL26275787 1.00 POLRMT (0.41) POLRMTCYP3A4CYP2C9BTN3A1
SCHEMBL16708552 1.00 POLRMT (0.41) POLRMTCYP3A4CYP2C9BTN3A1
SCHEMBL26275827 0.95 POLRMT (0.40) POLRMTCYP3A4CYP2C9BTN3A1
SCHEMBL26275829 0.95 POLRMT (0.40) POLRMTCYP3A4CYP2C9BTN3A1
SCHEMBL26275831 0.95 POLRMT (0.40) POLRMTCYP3A4CYP2C9BTN3A1
SCHEMBL23818613 0.95 POLRMT (0.42) POLRMTCYP3A4CYP2C9BTN3A1
SCHEMBL27228074 0.95 POLRMT (0.42) POLRMTCYP3A4CYP2C9BTN3A1
SCHEMBL27232088 0.95 POLRMT (0.42) POLRMTCYP3A4CYP2C9BTN3A1
SCHEMBL26275836 0.95 POLRMT (0.42) POLRMTCYP3A4CYP2C9BTN3A1
SCHEMBL27232620 0.95 POLRMT (0.42) POLRMTCYP3A4CYP2C9BTN3A1

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
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