SCHEMBL27350970

SCHEMBL27350970

CCOC(=O)C(C)NP(=O)(OCC1OC(C)(c2ccc3c(N)ncnn23)C(F)C1O)Oc1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 2/20 0.41
▸ CYP2C9 P11712 2/20 0.41
▸ BTN3A1 O00481 7/20 0.34
▸ RIPK1 Q13546 2/20 0.34

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
SCHEMBL24119298 1.00 CYP3A4 (0.41) CYP3A4CYP2C9BTN3A1RIPK1
SCHEMBL17719374 1.00 CYP3A4 (0.41) CYP3A4CYP2C9BTN3A1RIPK1
SCHEMBL31659020 1.00 CYP3A4 (0.41) CYP3A4CYP2C9BTN3A1RIPK1
SCHEMBL807521 1.00 CYP3A4 (0.41) CYP3A4CYP2C9BTN3A1RIPK1
SCHEMBL25012467 0.94 CYP3A4 (0.40) CYP3A4CYP2C9BTN3A1RIPK1
SCHEMBL24975049 0.94 CYP3A4 (0.40) CYP3A4CYP2C9BTN3A1RIPK1
SCHEMBL18636485 0.94 CYP3A4 (0.40) CYP3A4CYP2C9BTN3A1RIPK1
SCHEMBL24057879 0.94 CYP3A4 (0.48) CYP3A4CYP2C9BTN3A1RIPK1
SCHEMBL17712516 0.94 CYP3A4 (0.48) CYP3A4CYP2C9BTN3A1RIPK1
SCHEMBL807683 0.94 CYP3A4 (0.48) CYP3A4CYP2C9BTN3A1RIPK1

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-2023250111-A1 COMBINATION THERAPIES FOR THE TREATMENT OF VIRAL INFECTIONS FLAGSHIP PIONEERING INNOVATIONS VI, LLC (US) 2023-12-28 — — WO disclosed
Send feedback