Sugi Predict

Sugi Predict / Compounds / SCHEMBL19987202

SCHEMBL19987202

SCHEMBL19987202

CC(C)OC(=O)[C@H](C)NP(=O)(OC[C@H]1C2(C)O[C@@H](n3cnc4c(NCc5ccccc5)nc(Cl)nc43)C(F)C12Cc1nnn[nH]1)Oc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ NT5E P21589 18/20 0.43
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38

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
SCHEMBL19987210 0.91 CYP3A4 (0.40) NT5ECYP3A4CYP2C9
SCHEMBL19987221 0.90 CYP3A4 (0.39) NT5ECYP3A4CYP2C9
SCHEMBL19987204 0.90 NT5E (0.47) NT5E
SCHEMBL19987348 0.90 NT5E (0.47) NT5E
SCHEMBL19987211 0.89 NT5E (0.39) NT5ECYP3A4CYP2C9
SCHEMBL19987166 0.89 NT5E (0.48) NT5E
SCHEMBL19987270 0.89 NT5E (0.45) NT5E
SCHEMBL21511223 0.85 NT5E (0.42) NT5ECYP3A4CYP2C9
SCHEMBL19987378 0.82 DNPH1 (0.44) NT5ECYP3A4CYP2C9
SCHEMBL19987301 0.81 NT5E (0.36) NT5E

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