SCHEMBL29734945

SCHEMBL29734945

CC1(C)OB(c2ccc3ncn(C(F)F)c3c2)OC1(C)C

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 1/20 0.39
LPL P06858 11/20 0.38
LIPG Q9Y5X9 11/20 0.38
EGFR P00533 2/20 0.37
IDO1 P14902 1/20 0.36
TDO2 P48775 1/20 0.36
ESR2 Q92731 1/20 0.34
SNCA P37840 1/20 0.34
ROCK1 Q13464 1/20 0.32
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 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
SCHEMBL26921066 1.00 IRAK4 (0.39) IRAK4LPLLIPGEGFRIDO1
SCHEMBL29037924 0.90 IRAK4 (0.37) IRAK4LPLLIPGEGFRIDO1
SCHEMBL26920488 0.89 LPL (0.38) IRAK4LPLLIPGEGFRIDO1
SCHEMBL29734960 0.89 LPL (0.38) IRAK4LPLLIPGEGFRIDO1
SCHEMBL30847373 0.88 IRAK4 (0.39) IRAK4LPLLIPGEGFRIDO1
SCHEMBL19836335 0.88 IRAK4 (0.39) IRAK4LPLLIPGEGFRIDO1
SCHEMBL22125608 0.81 LPL (0.38) IRAK4LPLLIPGEGFRIDO1
SCHEMBL13028373 0.80 DYRK1A (0.42) IRAK4LPLLIPGEGFRIDO1
SCHEMBL29520198 0.80 DYRK1A (0.42) IRAK4LPLLIPGEGFRIDO1
SCHEMBL29729448 0.79 IRAK4 (0.35) IRAK4LPLLIPGEGFRIDO1

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-2022167682-A1 AZABICYCLIC SHP2 INHIBITORS IRBM S.P.A. (IT) 2022-08-11 WO disclosed