SCHEMBL31228458

SCHEMBL31228458

COC(=O)[C@H](C(C)C)N(C)C(=O)[C@H]1CCN(c2nccs2)[C@@H]1COCc1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 1/20 0.37
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
HSD17B10 Q99714 1/20 0.34
ATM Q13315 1/20 0.34
ALDH1A1 P00352 1/20 0.33
OPRM1 P35372 1/20 0.33
OPRD1 P41143 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CYP3A4 P08684 4/20 0.32
PTPN1 P18031 1/20 0.32
CDC25B P30305 1/20 0.32
CYP2D6 P10635 1/20 0.32
OPRK1 P41145 1/20 0.32
ABCB1 P08183 1/20 0.32
TPSAB1 Q15661 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
SCHEMBL31228598 0.86 HTT (0.36) MEN1KMT2AHSD17B10ALDH1A1
SCHEMBL31228613 0.82 TSHR (0.36) MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL31228241 0.77 YAP1 (0.39) MEN1KMT2AATMSMN1; SMN2
SCHEMBL31228227 0.77 YAP1 (0.39) MEN1KMT2AATMSMN1; SMN2
SCHEMBL31228299 0.75 TSHR (0.35) MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL31228242 0.72 ACHE (0.39) MEN1KMT2AATMCYP3A4
SCHEMBL31228285 0.69 KLK7 (0.37) MEN1KMT2AALDH1A1SMN1; SMN2PTPN1
SCHEMBL31228531 0.69 KLK7 (0.39) KMT2A
SCHEMBL31153940 0.67 YAP1 (0.39) ATMSMN1; SMN2
SCHEMBL28952807 0.66 SMN1; SMN2 (0.55) GRIN2BMEN1KMT2ASMN1; SMN2CYP2D6

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