SCHEMBL31228505

SCHEMBL31228505

CCOC(=O)[C@H]([C@H]1CCOC1)N(C)C(=O)[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1COCc1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KLK7 P49862 2/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
JAK2 O60674 1/20 0.34
JAK1 P23458 1/20 0.34
GPR119 Q8TDV5 1/20 0.34
PARP1 P09874 1/20 0.34
HCRTR2 O43614 1/20 0.33
GHSR Q92847 3/20 0.33
CCR5 P51681 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
F10 P00742 1/20 0.32
MMP1 P03956 1/20 0.32
MMP13 P45452 1/20 0.32
KLK5 Q9Y337 1/20 0.32
YAP1 P46937 1/20 0.32
RAB9A P51151 1/20 0.32

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
SCHEMBL31228519 0.84 ALDH1A1 (0.31) MEN1KMT2ARAB9A
SCHEMBL31228352 0.83 MMP13 (0.38) MEN1KMT2AGPR119HCRTR2CCR5
SCHEMBL31228531 0.79 KLK7 (0.39) KLK7KMT2AJAK2JAK1GPR119
SCHEMBL31228227 0.79 YAP1 (0.39) KLK7MEN1KMT2AJAK2JAK1
SCHEMBL31228241 0.79 YAP1 (0.39) KLK7MEN1KMT2AJAK2JAK1
SCHEMBL31228495 0.76 KLK7 (0.46) KLK7KMT2AJAK2JAK1GPR119
SCHEMBL31228337 0.76 KLK7 (0.46) KLK7KMT2AJAK2JAK1GPR119
SCHEMBL31228493 0.76 KLK7 (0.46) KLK7KMT2AJAK2JAK1GPR119
SCHEMBL31228447 0.75 KLK7 (0.48) KLK7KMT2AJAK2JAK1GPR119
SCHEMBL31228705 0.75 KLK7 (0.48) KLK7KMT2AJAK2JAK1GPR119

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