SCHEMBL24699523

SCHEMBL24699523

C[C@H]1CCN1c1nc2c(c(-c3cccc([C@H]4C[C@@H]4C#N)c3)n1)CCC2

nearest known ligand 0.31

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
PDK1 Q15118 1/20 0.31
PDK2 Q15119 1/20 0.31
PDK3 Q15120 1/20 0.31
PDK4 Q16654 1/20 0.31
HRH3 Q9Y5N1 2/20 0.31
HRH2 P25021 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
SCHEMBL30016511 1.00 MEN1 (0.31) MEN1KMT2APDK1PDK2PDK3
SCHEMBL30016142 1.00 MEN1 (0.31) MEN1KMT2APDK1PDK2PDK3
SCHEMBL30015509 0.83 MEN1 (0.38) MEN1KMT2APDK1PDK2PDK3
SCHEMBL30016653 0.83 MEN1 (0.38) MEN1KMT2APDK1PDK2PDK3
SCHEMBL24698449 0.83 MEN1 (0.38) MEN1KMT2APDK1PDK2PDK3
SCHEMBL30015676 0.83 MEN1 (0.38) MEN1KMT2APDK1PDK2PDK3
SCHEMBL24699135 0.82 ALDH1A1 (0.40) MEN1KMT2APDK1PDK2PDK3
SCHEMBL30016121 0.82 ALDH1A1 (0.40) MEN1KMT2APDK1PDK2PDK3
SCHEMBL24698381 0.82 MTOR (0.41) HRH3
SCHEMBL29134822 0.82 MTOR (0.41) HRH3

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-2022212194-A1 KHK INHIBITORS GILEAD SCIENCES, INC. (US) 2022-10-06 WO disclosed