Sugi Predict

Sugi Predict / Compounds / SCHEMBL19987346

SCHEMBL19987346

SCHEMBL19987346

CC(C)OC(=O)[C@H](C)NP(=O)(OC[C@H]1O[C@@H](n2cnc3c(N)nc(Cl)nc32)C(F)C1(C)COP(=O)(N[C@@H](C)C(O)OC(C)C)Oc1ccccc1)Oc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ NT5E P21589 14/20 0.40
▸ CYP3A4 P08684 2/20 0.40
▸ CYP2C9 P11712 2/20 0.40
▸ CD99 P14209 1/20 0.37

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
SCHEMBL19987157 0.95 NT5E (0.44) NT5ECYP3A4CYP2C9CD99
SCHEMBL19987313 0.95 NT5E (0.44) NT5ECYP3A4CYP2C9CD99
SCHEMBL19987209 0.91 NT5E (0.45) NT5ECYP3A4CYP2C9
SCHEMBL19987374 0.90 NT5E (0.43) NT5ECD99
SCHEMBL19987203 0.90 NT5E (0.44) NT5ECYP3A4CYP2C9CD99
SCHEMBL19987198 0.89 PDE2A (0.46) NT5ECYP3A4CYP2C9
SCHEMBL19987169 0.88 NT5E (0.42) NT5ECYP3A4CYP2C9
SCHEMBL19987159 0.87 CYP3A4 (0.43) NT5ECYP3A4CYP2C9
SCHEMBL19987365 0.86 CYP3A4 (0.43) NT5ECYP3A4CYP2C9
SCHEMBL21511172 0.85 NT5E (0.48) NT5ECYP3A4CYP2C9

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-2018049535-A1 NUCLEOSIDE ANALOGUES AND METHODS OF USE THEREOF LCB PHARMA INC. (CA) 2018-03-22 — — WO disclosed