SCHEMBL31228440

SCHEMBL31228440

CC(C)[C@@H](C(=O)OCc1ccccc1)N(C)C(=O)[C@H]1CN(C(=O)OC(C)(C)C)[C@@H]1C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AGTR2 P50052 5/20 0.40
MEN1 O00255 2/20 0.39
MAPT P10636 2/20 0.39
KMT2A Q03164 2/20 0.39
PARP1 P09874 1/20 0.39
ABCB1 P08183 1/20 0.38
GHSR Q92847 2/20 0.38
KLK7 P49862 1/20 0.37
JAK2 O60674 1/20 0.37
JAK1 P23458 1/20 0.37
CTSL P07711 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
ALDH1A1 P00352 1/20 0.36
POLB P06746 1/20 0.36
MAPK1 P28482 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TACR1 P25103 1/20 0.35

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
SCHEMBL31228540 0.92 MEN1 (0.39) MEN1MAPTKMT2APARP1ABCB1
SCHEMBL31228420 0.89 TACR1 (0.42) MEN1MAPTKMT2APARP1ABCB1
SCHEMBL31228320 0.86 TACR1 (0.43) MEN1MAPTKMT2APARP1JAK2
SCHEMBL31228368 0.83 MAPT (0.40) MEN1MAPTKMT2APARP1GHSR
SCHEMBL31228393 0.82 KLK7 (0.44) MEN1MAPTKMT2APARP1GHSR
SCHEMBL31228526 0.81 TACR1 (0.42) MEN1MAPTKMT2APARP1JAK2
SCHEMBL31228552 0.80 P2RX7 (0.42) MEN1MAPTKMT2AL3MBTL1
SCHEMBL31153839 0.79 JAK2 (0.46) MEN1MAPTKMT2APARP1JAK2
SCHEMBL31153754 0.79 JAK2 (0.46) MEN1MAPTKMT2APARP1JAK2
SCHEMBL23342685 0.77 MEN1 (0.51) MEN1MAPTKMT2AJAK2JAK1

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