SCHEMBL27284334

SCHEMBL27284334

BC(B)(O)C(OC)[C@@H](O)Cc1ccc2c(N)ncnn12

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 1/20 0.33
▸ RIPK1 Q13546 3/20 0.33
▸ MAP4K4 O95819 1/20 0.31

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
SCHEMBL27284295 0.80 RIPK1 (0.34) PIK3CARIPK1MAP4K4
SCHEMBL25008853 0.74 RIPK1 (0.33) PIK3CARIPK1MAP4K4
SCHEMBL26949660 0.74 RIPK1 (0.34) PIK3CARIPK1
SCHEMBL24312569 0.73 MAP4K4 (0.38) PIK3CARIPK1MAP4K4
SCHEMBL24057840 0.69 RIPK1 (0.36) RIPK1MAP4K4
SCHEMBL24982191 0.69 ADORA2A (0.35) RIPK1MAP4K4
SCHEMBL18666942 0.69 RIPK1 (0.35) RIPK1MAP4K4
SCHEMBL90895 0.68 ACVRL1 (0.41) PIK3CARIPK1MAP4K4
SCHEMBL65554 0.68 MAP4K4 (0.41) RIPK1MAP4K4
SCHEMBL26824032 0.68 RIPK1 (0.30) RIPK1

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-2024054618-A1 METHODS FOR TREATMENT OF VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2024-03-14 — — WO disclosed
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