SCHEMBL31458748

SCHEMBL31458748

CC1(C)OB(c2ccn3nc(NC4CCOCC4)nc3c2)OC1(C)C

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 12/20 0.35
MAPK8 P45983 1/20 0.33
MAPK9 P45984 1/20 0.33
MAPK10 P53779 1/20 0.33
PIM1 P11309 2/20 0.32
HRH4 Q9H3N8 1/20 0.32
MKNK1 Q9BUB5 1/20 0.32
PTGS2 P35354 1/20 0.31
IRAK4 Q9NWZ3 1/20 0.31
CCNT1 O60563 1/20 0.31
CCNC P24863 1/20 0.31
CDK2 P24941 1/20 0.31
CDK8 P49336 1/20 0.31
CDK7 P50613 1/20 0.31
CDK9 P50750 1/20 0.31
CCNH P51946 1/20 0.31
MNAT1 P51948 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
SCHEMBL31458626 0.77 AHR (0.43) MAPK1MAPK8MAPK9MAPK10PIM1
SCHEMBL25440296 0.75 TDP2 (0.38) IRAK4
SCHEMBL20602162 0.73 IRAK4 (0.38) IRAK4
SCHEMBL31460645 0.72 MAPK1 (0.44) MAPK1MAPK8MAPK9MAPK10
SCHEMBL3308241 0.72 PIK3CG (0.39) IRAK4
SCHEMBL34471646 0.72 MAPK1 (0.59) MAPK1MAPK8MAPK9MAPK10
SCHEMBL30682135 0.70 PIK3CB (0.32)
SCHEMBL3323408 0.70 LPL (0.40) MAPK1PIM1
SCHEMBL31458619 0.69 PIM1 (0.37) MAPK1MAPK8MAPK9MAPK10PIM1
SCHEMBL31458620 0.69 PIM1 (0.37) MAPK1MAPK8MAPK9MAPK10PIM1

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-2025096061-A1 CDK2 INHIBITORS AND USES THEREOF ODYSSEY THERAPEUTICS, INC. (US) 2025-05-08 WO disclosed