SCHEMBL27445650

SCHEMBL27445650

CC(C)c1cc(F)c2c(c1)C1(CCC1)CNC2=O

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.33
GFER P55789 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MAPKAPK2 P49137 1/20 0.32
EIF4A3 P38919 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
SCHEMBL27445415 0.78 PDE7A (0.34) HPGDGFERHSD17B10EIF4A3
SCHEMBL27445524 0.75 HPGD (0.46) HPGDGFERHSD17B10MAPKAPK2
SCHEMBL27445652 0.69 HTR2A (0.30)
SCHEMBL25781777 0.69 MKNK2 (0.39) HPGDGFERHSD17B10EIF4A3
SCHEMBL30926192 0.62 RIPK3 (0.37)
SCHEMBL27445651 0.61 HTR2A (0.30)
SCHEMBL24664743 0.61 CYP3A4 (0.39) HPGDGFERHSD17B10
SCHEMBL12219916 0.61 GRM2 (0.41) HPGDGFERHSD17B10EIF4A3
SCHEMBL32691381 0.61 JAK2 (0.34)
SCHEMBL11951609 0.60 KARS1 (0.39)

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-2024119122-A1 CDK INHIBITORS AND METHODS AND USE THEREOF RELAY THERAPEUTICS, INC. (US) 2024-06-06 WO disclosed