SCHEMBL19987204

SCHEMBL19987204

CC(C)OC(=O)[C@H](C)NP(=O)(OC[C@H]1C2(C)O[C@@H](n3cnc4c(NCc5ccccc5)nc(Cl)nc43)C(F)C12CO)Oc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
NT5E P21589 18/20 0.47

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
SCHEMBL19987348 0.95 NT5E (0.47) NT5E
SCHEMBL19987270 0.94 NT5E (0.45) NT5E
SCHEMBL19987202 0.90 NT5E (0.43) NT5E
SCHEMBL19987290 0.90 CYP3A4 (0.42) NT5E
SCHEMBL19987205 0.89 CYP3A4 (0.41) NT5E
SCHEMBL19987335 0.88 NT5E (0.43) NT5E
SCHEMBL19987170 0.88 NT5E (0.53) NT5E
SCHEMBL19987378 0.86 DNPH1 (0.44) NT5E
SCHEMBL19987158 0.85 NT5E (0.53) NT5E
SCHEMBL19987193 0.85 CYP3A4 (0.42) 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