SCHEMBL26535299

SCHEMBL26535299

CCS(=O)(=O)c1nc(N2C3CCC2CN(C(=O)OC(C)(C)C)C3)c2c3c(c(-c4c(F)ccc5sc(NC(=O)OC(C)(C)C)c(C#N)c45)c(F)c2n1)COC3

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
BTK Q06187 1/20 0.31

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
SCHEMBL30776278 1.00 BTK (0.31) BTK
SCHEMBL26116062 0.97 BTK (0.30) BTK
SCHEMBL31278357 0.97 BTK (0.30) BTK
SCHEMBL30587214 0.97 BTK (0.30) BTK
SCHEMBL27084248 0.95
SCHEMBL31209097 0.94 MEN1 (0.31) BTK
SCHEMBL27084043 0.92
SCHEMBL30587240 0.91 BTK (0.32) BTK
SCHEMBL26118160 0.91 BTK (0.32) BTK
SCHEMBL30587274 0.90 BTK (0.30) BTK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023183585-A1 KRAS INHIBITORS ELI LILLY AND COMPANY (US) 2023-09-28 WO disclosed