SCHEMBL24149793

SCHEMBL24149793

CCOC(=O)[C@H](C)N[P@](=O)(OC[C@H]1O[C@@](C)(c2ccc3c(N)ncnn23)[C@H](O)[C@@H]1O)Oc1cccc2ccccc12

nearest known ligand 0.59

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ POLRMT O00411 1/20 0.32
▸ CYP3A4 P08684 2/20 0.32
▸ CYP2C9 P11712 2/20 0.32
▸ RIPK1 Q13546 2/20 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
SCHEMBL24149308 0.94 KRAS (0.31) POLRMTCYP3A4CYP2C9RIPK1
SCHEMBL25012573 0.92 POLRMT (0.32) POLRMTRIPK1
SCHEMBL24149063 0.92 POLRMT (0.32) POLRMTCYP3A4CYP2C9RIPK1
SCHEMBL30269951 0.90 TMPRSS2 (0.40) POLRMTRIPK1
SCHEMBL24149141 0.90 TMPRSS2 (0.40) POLRMTRIPK1
SCHEMBL24975049 0.89 CYP3A4 (0.40) CYP3A4CYP2C9RIPK1
SCHEMBL18636485 0.89 CYP3A4 (0.40) CYP3A4CYP2C9RIPK1
SCHEMBL25012467 0.89 CYP3A4 (0.40) CYP3A4CYP2C9RIPK1
SCHEMBL24149636 0.89 P2RX1 (0.31) —
SCHEMBL881451 0.88 TMPRSS2 (0.35) POLRMTCYP3A4CYP2C9

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-2021262826-A2 1'-CYANO NUCLEOSIDE ANALOGS AND USES THEREOF GILEAD SCIENCES, INC. (US) 2021-12-30 — — WO disclosed
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