SCHEMBL31108221

SCHEMBL31108221

COC(OC)c1cnc(C(=O)Nc2cccc(B3OC(C)(C)C(C)(C)O3)c2C)c(C)c1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ LIPE Q05469 9/20 0.41
▸ PDCD1 Q15116 8/20 0.34
▸ CD274 Q9NZQ7 8/20 0.34
▸ BACE1 P56817 2/20 0.33
▸ MAPT P10636 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ BACE2 Q9Y5Z0 1/20 0.33

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
SCHEMBL20293697 0.85 LIPE (0.50) LIPEPDCD1CD274
SCHEMBL30836614 0.85 LIPE (0.50) LIPEPDCD1CD274
SCHEMBL31108324 0.82 LIPE (0.41) LIPEPDCD1CD274BACE1MAPT
SCHEMBL20293126 0.76 LIPE (0.50) LIPEPDCD1CD274MAPTSMN1; SMN2
SCHEMBL30836715 0.76 LIPE (0.50) LIPEPDCD1CD274MAPTSMN1; SMN2
SCHEMBL20293076 0.75 LIPE (0.52) LIPEBACE1SMN1; SMN2BACE2
SCHEMBL31108231 0.74 KDM4E (0.38) PDCD1CD274BACE1MAPTSMN1; SMN2
SCHEMBL31108271 0.73 LIPE (0.52) LIPEPDCD1CD274
SCHEMBL20312243 0.73 LIPE (0.40) LIPE
SCHEMBL30127865 0.73 LIPE (0.40) LIPE

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4694981-A1 HETEROCYCLIC COMPOUNDS AS DUAL INHIBITORS OF PD-L1 AND ADENOSINE RECEPTORS Aurigene Oncology Limited (IN) 2026-02-18 — — EP disclosed
WO-2024214088-A1 HETEROCYCLIC COMPOUNDS AS DUAL INHIBITORS OF PD-L1 AND ADENOSINE RECEPTORS AURIGENE ONCOLOGY LIMITED (IN) 2024-10-17 — — WO disclosed
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