SCHEMBL31228561

SCHEMBL31228561

CC(C)(C)[Si](C)(C)OCC1NCCN1C(=O)OCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 1/20 0.42
PDK2 Q15119 1/20 0.42
PDK3 Q15120 1/20 0.42
PDK4 Q16654 1/20 0.42
HTR2C P28335 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TMEM97 Q5BJF2 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
PREP P48147 1/20 0.39

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
SCHEMBL29560191 0.81 SMN1; SMN2 (0.45) PDK1PDK2PDK3PDK4NPC1
SCHEMBL20129622 0.81 MEN1 (0.45) PDK1PDK2PDK3PDK4HTR2C
SCHEMBL20129642 0.81 MEN1 (0.45) PDK1PDK2PDK3PDK4HTR2C
SCHEMBL6475389 0.80 PREP (0.49) NPSR1PREP
SCHEMBL6484219 0.80 PREP (0.49) NPSR1PREP
SCHEMBL6475398 0.80 PREP (0.49) NPSR1PREP
SCHEMBL3637452 0.79 FKBP1A (0.48) TMEM97SIGMAR1PREP
SCHEMBL15185033 0.79 NPC1 (0.43) PDK1PDK2PDK3PDK4NPC1
SCHEMBL29510871 0.78 PDK1 (0.44) PDK1PDK2PDK3PDK4HTR2C
SCHEMBL31287316 0.77 ABHD6 (0.43) PDK1PDK2PDK3PDK4PREP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4688789-A1 MACROCYCLIC RAS INHIBITORS Revolution Medicines, Inc. (US) 2026-02-11 EP disclosed
WO-2024211663-A9 MACROCYCLIC RAS INHIBITORS Revolution Medicines, Inc. (US) 2025-01-30 WO disclosed
WO-2024211663-A1 CONDENSED MACROCYCLIC COMPOUNDS AS RAS INHIBITORS Revolution Medicines, Inc. (US) 2024-10-10 WO disclosed