SCHEMBL26533737

SCHEMBL26533737

CSc1cc(CCNC(=O)OC(C)(C)C)c2c3c(c(-c4ccc(F)c5sc(NC(=O)OC(C)(C)C)c(C#N)c45)c(Cl)c2n1)COC3

nearest known ligand 0.30

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HPGD P15428 1/20 0.30
HTT P42858 1/20 0.30
KMT2A Q03164 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL30587288 1.00 KDM4E (0.30) KDM4EMEN1ALDH1A1HPGDHTT
SCHEMBL26114057 0.96
SCHEMBL30776456 0.91 RORC (0.31) ALDH1A1HPGDHTT
SCHEMBL26535186 0.91 RORC (0.31) ALDH1A1HPGDHTT
SCHEMBL30587224 0.89 THRB (0.31) MEN1ALDH1A1HPGDKMT2ASMN1; SMN2
SCHEMBL26114998 0.89 THRB (0.31) MEN1ALDH1A1HPGDKMT2ASMN1; SMN2
SCHEMBL30587198 0.89 THRB (0.31) MEN1ALDH1A1HPGDKMT2ASMN1; SMN2
SCHEMBL31278508 0.89 THRB (0.31) MEN1ALDH1A1HPGDKMT2ASMN1; SMN2
SCHEMBL26115041 0.89 THRB (0.31) MEN1ALDH1A1HPGDKMT2ASMN1; SMN2
SCHEMBL27084115 0.87 RORC (0.30)

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