SCHEMBL31228320

SCHEMBL31228320

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 2/20 0.43
JAK2 O60674 1/20 0.41
JAK1 P23458 1/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
MAPT P10636 3/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
GPR119 Q8TDV5 1/20 0.39
MAPK1 P28482 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38
PARP1 P09874 1/20 0.38
NTSR1 P30989 1/20 0.38
USP30 Q70CQ3 1/20 0.38
STS P08842 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
YAP1 P46937 1/20 0.37

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
SCHEMBL31228526 0.90 TACR1 (0.42) TACR1JAK2JAK1MEN1KMT2A
SCHEMBL31228440 0.86 AGTR2 (0.40) TACR1JAK2JAK1MEN1KMT2A
SCHEMBL31228420 0.84 TACR1 (0.42) TACR1JAK2JAK1MEN1KMT2A
SCHEMBL31153839 0.84 JAK2 (0.46) JAK2JAK1MEN1KMT2AMAPT
SCHEMBL31153754 0.84 JAK2 (0.46) JAK2JAK1MEN1KMT2AMAPT
SCHEMBL30419761 0.83 PDK1 (0.42) TACR1JAK2JAK1MEN1KMT2A
SCHEMBL31228513 0.82 P2RX7 (0.44) TACR1MEN1KMT2AMAPTL3MBTL1
SCHEMBL23342685 0.82 MEN1 (0.51) JAK2JAK1MEN1KMT2AMAPT
SCHEMBL28838579 0.82 MEN1 (0.51) JAK2JAK1MEN1KMT2AMAPT
SCHEMBL31228540 0.81 MEN1 (0.39) MEN1KMT2AMAPTL3MBTL1GPR119

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