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SCHEMBL19987357

SCHEMBL19987357

C=C[C@]1(C)[C@@H](COP(=O)(N[C@@H](C)C(=O)OC(C)C)Oc2ccccc2)O[C@@H](n2ccc(N)nc2=O)C1(F)F

nearest known ligand 0.69

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 2/20 0.54
▸ CYP2C9 P11712 2/20 0.54
▸ POLA1 P09884 2/20 0.41
▸ BTN3A1 O00481 6/20 0.41
▸ PDE4D Q08499 1/20 0.35
▸ PDE3A Q14432 1/20 0.35
▸ SLC29A1 Q99808 1/20 0.35
▸ ST6GAL1 P15907 3/20 0.35

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
SCHEMBL21511243 0.89 CYP3A4 (0.55) CYP3A4CYP2C9POLA1BTN3A1PDE4D
SCHEMBL19987249 0.89 CYP3A4 (0.55) CYP3A4CYP2C9POLA1BTN3A1PDE4D
SCHEMBL21511242 0.89 CYP3A4 (0.55) CYP3A4CYP2C9POLA1BTN3A1PDE4D
SCHEMBL21511166 0.89 CYP3A4 (0.55) CYP3A4CYP2C9POLA1BTN3A1PDE4D
SCHEMBL19987183 0.89 CYP3A4 (0.55) CYP3A4CYP2C9POLA1BTN3A1PDE4D
SCHEMBL19987181 0.89 CYP3A4 (0.55) CYP3A4CYP2C9POLA1BTN3A1PDE4D
SCHEMBL19987337 0.85 CYP3A4 (0.52) CYP3A4CYP2C9POLA1BTN3A1PDE4D
SCHEMBL19987230 0.85 CYP3A4 (0.52) CYP3A4CYP2C9POLA1BTN3A1PDE4D
SCHEMBL20668722 0.85 CYP3A4 (0.65) CYP3A4CYP2C9POLA1BTN3A1PDE4D
SCHEMBL16128053 0.85 CYP3A4 (0.65) CYP3A4CYP2C9POLA1BTN3A1PDE4D

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