SCHEMBL31085657

SCHEMBL31085657

CCSc1nc(O)c2c3c(c(-c4c(F)ccc5sc(NC(=O)OC(C)(C)C)cc45)c(F)c2n1)COC3

nearest known ligand 0.00

⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.

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
SCHEMBL30776505 0.92
SCHEMBL26532271 0.92
SCHEMBL31123164 0.88
SCHEMBL26532270 0.85
SCHEMBL26118570 0.85 CXCR2 (0.31)
SCHEMBL30776302 0.85
SCHEMBL27084048 0.85
SCHEMBL30776363 0.85 CXCR2 (0.31)
SCHEMBL30587212 0.85 CXCR2 (0.31)
SCHEMBL26532167 0.85 CXCR2 (0.31)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12600733-B2 KRAS inhibitors ELI LILLY AND COMPANY (US) 2026-04-14 US disclosed
US-20260092075-A1 KRAS INHIBITORS LILLY CO ELI (US) 2026-04-02 US disclosed
EP-4688792-A1 KRAS INHIBITORS Eli Lilly and Company (US) 2026-02-11 EP disclosed
EP-4688784-A1 KRAS INHIBITORS Eli Lilly and Company (US) 2026-02-11 EP disclosed
US-20240368193-A1 KRAS INHIBITORS ELI LILLY AND COMPANY 2024-11-07 US disclosed
US-20240343736-A1 KRAS INHIBITORS ELI LILLY AND COMPANY 2024-10-17 US disclosed
WO-2024206766-A1 KRAS INHIBITORS ELI LILLY AND COMPANY (US) 2024-10-03 WO disclosed
WO-2024206747-A1 KRAS INHIBITORS ELI LILLY AND COMPANY (US) 2024-10-03 WO disclosed