SCHEMBL26535576

SCHEMBL26535576

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

nearest known ligand 0.30

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.30
POLB P06746 2/20 0.30
MEN1 O00255 1/20 0.30
HPGD P15428 1/20 0.30
KMT2A Q03164 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL30776531 1.00 LMNA (0.30) LMNAPOLBMEN1HPGDKMT2A
SCHEMBL31123153 0.92 LMNA (0.31) LMNAPOLBMEN1HPGDKMT2A
SCHEMBL27084216 0.91 ALDH1A1 (0.30) LMNAPOLBALDH1A1
SCHEMBL30776324 0.88 KDM4E (0.31) HPGDALDH1A1
SCHEMBL26534537 0.88 KDM4E (0.31) HPGDALDH1A1
SCHEMBL31208836 0.88 ALDH1A1 (0.31) LMNAPOLBALDH1A1
SCHEMBL33526353 0.85 LMNA (0.33) LMNAPOLBMEN1HPGDKMT2A
SCHEMBL31686258 0.85
SCHEMBL30587214 0.85 BTK (0.30)
SCHEMBL30776278 0.85 BTK (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 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