SCHEMBL27369855

SCHEMBL27369855

CCC(NC(=O)c1c[nH]c(C(C)C)c1-c1ccccc1F)c1cccc(Cl)c1

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DCAF1 Q9Y4B6 7/20 0.50
CTSA P10619 1/20 0.47
MAPK1 P28482 9/20 0.41
MAPK3 P27361 1/20 0.41
KCNA5 P22460 1/20 0.40
TACR3 P29371 1/20 0.40
KEAP1 Q14145 1/20 0.39
NFE2L2 Q16236 1/20 0.39

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
SCHEMBL27369861 0.79 DCAF1 (0.65) DCAF1CTSAMAPK1
SCHEMBL26470002 0.76 DCAF1 (0.52) DCAF1CTSAMAPK1TACR3
SCHEMBL19025632 0.72 ALDH1A1 (0.56) DCAF1CTSAMAPK1MAPK3
SCHEMBL28076662 0.72 ALDH1A1 (0.56) DCAF1CTSAMAPK1MAPK3
SCHEMBL27369938 0.69 MAPK1 (0.42) DCAF1CTSAMAPK1
SCHEMBL27369957 0.68 MAPK1 (0.39) DCAF1CTSAMAPK1MAPK3
SCHEMBL27369941 0.68 MAPK1 (0.39) DCAF1MAPK1
SCHEMBL14338398 0.68 TAS1R3 (0.52) MAPK1MAPK3
SCHEMBL27369904 0.67 DCAF1 (0.51) DCAF1CTSAMAPK1
SCHEMBL26795041 0.67 DCAF1 (0.66) DCAF1CTSAMAPK1

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-2024092011-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2024-05-02 WO disclosed