SCHEMBL7268779

SCHEMBL7268779

CC(C)OP(=O)(CO[C@@H](C)Cn1cnc2c(N)ncnc21)OC(C)C

nearest known ligand 0.76

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 14/20 0.76
FAP Q12884 2/20 0.69
CYP2D6 P10635 14/20 0.62

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
SCHEMBL13983477 1.00 CYP3A4 (0.76) CYP3A4FAPCYP2D6
SCHEMBL7267656 1.00 CYP3A4 (0.76) CYP3A4FAPCYP2D6
SCHEMBL14629613 0.92 CYP3A4 (0.65) CYP3A4FAPCYP2D6
SCHEMBL15070860 0.90 CYP3A4 (0.77) CYP3A4FAPCYP2D6
SCHEMBL16638756 0.89 CYP3A4 (0.76) CYP3A4FAPCYP2D6
SCHEMBL24809663 0.88 CYP3A4 (0.74) CYP3A4FAPCYP2D6
SCHEMBL1393452 0.88 CYP3A4 (0.74) CYP3A4FAPCYP2D6
SCHEMBL1393451 0.88 CYP3A4 (0.74) CYP3A4FAPCYP2D6
SCHEMBL13360604 0.87 CYP3A4 (0.58) CYP3A4FAPCYP2D6
SCHEMBL28928317 0.87 CYP3A4 (0.72) CYP3A4FAPCYP2D6

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022271880-A1 METHODS OF TREATING MEDICAL CONDITIONS AND INHIBITING LINE1 REVERSE TRANSCRIPTASE USING A SUBSTITUTED ADENINYL-PROPYLOXY PHOSPHONIC ACID OR RELATED COMPOUND ROME THERAPEUTICS, INC. (US) 2022-12-29 WO disclosed
US-6653296-B1 2-phosphonomethoxypropyl derivatives of purine and pyrimidine bases INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY OF THE ACADEMY OF SCIENCES OF THE CZECH REPUBLIC (CZ) 2003-11-25 US disclosed
US-6479673-B1 Antiretroviral enantiomeric nucleotide analogs INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY OF THE ACADEMY OF SCIENCES OF THE CZECH REPUBLIC (CZ) 2002-11-12 US disclosed
US-6057305-A Antiretroviral enantiomeric nucleotide analogs INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY OF THE ACADEMY OF SCIENCES OF THE CZECH REPUBLIC (CZ) 2000-05-02 US disclosed
EP-0654037-B1 ANTIRETROVIRAL ENANTIOMERIC NUCLEOTIDE ANALOGS ACAD OF SCIENCE CZECH REPUBLIC (CZ) 1999-05-12 EP disclosed
EP-0654037-A1 ANTIRETROVIRAL ENANTIOMERIC NUCLEOTIDE ANALOGS INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY OF THE ACADEMY OF SCIENCES OF THE CZECH REPUBLIC (CZ) 1995-05-24 EP disclosed
WO-1994003467-A2 ANTIRETROVIRAL ENANTIOMERIC NUCLEOTIDE ANALOGS INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY OF THE ACADEMY OF SCIENCES OF THE CZECH REPUBLIC (CZ) 1994-02-17 WO disclosed