SCHEMBL23744343

SCHEMBL23744343

CC(C)[C@H]1CC[C@H](n2cc(NC(=O)c3cccc(F)c3)c(C(F)F)n2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.41
MAPT P10636 4/20 0.41
TSHR P16473 3/20 0.41
NPC1 O15118 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
KDM4E B2RXH2 2/20 0.41
TP53 P04637 2/20 0.41
LMNA P02545 3/20 0.41
NPSR1 Q6W5P4 1/20 0.41
ALDH1A1 P00352 3/20 0.40
MAPK1 P28482 1/20 0.40
MEN1 O00255 5/20 0.40
KMT2A Q03164 5/20 0.40
KCNK3 O14649 2/20 0.39
KCNK9 Q9NPC2 1/20 0.39
HPGD P15428 1/20 0.39
NFKB1 P19838 1/20 0.39
HTT P42858 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 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
SCHEMBL25162450 0.90 MAPT (0.44) RAB9AMAPTTSHRNPC1SMN1; SMN2
SCHEMBL23744362 0.90 POLB (0.43) RAB9ANPC1MAPK1MEN1KMT2A
SCHEMBL23744344 0.88 TSHR (0.47) RAB9AMAPTTSHRNPC1SMN1; SMN2
SCHEMBL23744365 0.80 HTT (0.40) RAB9AMAPTNPC1SMN1; SMN2KDM4E
SCHEMBL26346880 0.80 IRAK4 (0.57) LMNA
SCHEMBL25162945 0.80 MEN1 (0.44) RAB9AMAPTNPC1SMN1; SMN2LMNA
SCHEMBL22849224 0.79 IRAK4 (0.56)
SCHEMBL23806215 0.79 IRAK4 (0.54)
SCHEMBL23806372 0.79 IRAK4 (0.54)
SCHEMBL23744363 0.79 IRAK4 (0.54)

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-2021158634-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2021-08-12 WO disclosed