SCHEMBL31458746

SCHEMBL31458746

CC(C)c1c(-c2ccn3nc(NC4CCOCC4)nc3c2)cnn1COCC[Si](C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE1B Q01064 2/20 0.36
PDE1C Q14123 2/20 0.36
CCNT1 O60563 1/20 0.36
CCNC P24863 1/20 0.36
CDK2 P24941 1/20 0.36
CDK8 P49336 1/20 0.36
CDK7 P50613 1/20 0.36
CDK9 P50750 1/20 0.36
CCNH P51946 1/20 0.36
MNAT1 P51948 1/20 0.36
PIM1 P11309 3/20 0.35
TTK P33981 3/20 0.35
MAPK8 P45983 1/20 0.34
MAPK9 P45984 1/20 0.34
MAPK10 P53779 1/20 0.34
MAPK1 P28482 7/20 0.33
CYP3A4 P08684 1/20 0.33
PDE1A P54750 1/20 0.33
PSEN1 P49768 3/20 0.33
PSEN2 P49810 3/20 0.33

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
SCHEMBL31458578 0.73 CDK2 (0.44) CCNT1CCNCCDK2CDK8CDK7
SCHEMBL31458573 0.73 MAPK1 (0.43) PDE1BPDE1CCDK2PIM1MAPK1
SCHEMBL31458604 0.71 MAPK8 (0.36) CDK2PIM1MAPK8MAPK9MAPK10
SCHEMBL31458619 0.70 PIM1 (0.37) PIM1TTKMAPK8MAPK9MAPK10
SCHEMBL31458620 0.70 PIM1 (0.37) PIM1TTKMAPK8MAPK9MAPK10
SCHEMBL31458737 0.67 GRM2 (0.33) PIM1TTKMAPK8MAPK9MAPK10
SCHEMBL31458626 0.65 AHR (0.43) CDK2PIM1MAPK8MAPK9MAPK10
SCHEMBL31458616 0.64 MAPK1 (0.39) PIM1TTKMAPK1
SCHEMBL31458748 0.61 MAPK1 (0.35) CCNT1CCNCCDK2CDK8CDK7
SCHEMBL30595656 0.61 CCNE1 (0.39) CCNT1CDK2CDK9MAPK10MAPK1

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