SCHEMBL31458737

SCHEMBL31458737

Cc1nn(COCC[Si](C)(C)C)cc1-c1ccn2nc(NC3CCOCC3)nc2c1Cl

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.33
MAPK1 P28482 7/20 0.33
LCK P06239 1/20 0.32
MAPK14 Q16539 1/20 0.32
PIM1 P11309 1/20 0.32
PSEN1 P49768 2/20 0.32
PSEN2 P49810 2/20 0.32
APH1B Q8WW43 2/20 0.32
NCSTN Q92542 2/20 0.32
APH1A Q96BI3 2/20 0.32
PSENEN Q9NZ42 2/20 0.32
JAK2 O60674 1/20 0.32
PDE5A O76074 1/20 0.31
MAPK8 P45983 2/20 0.31
TTK P33981 2/20 0.30
FGFR1 P11362 1/20 0.30
FGFR2 P21802 1/20 0.30
MAPK9 P45984 1/20 0.30
MAPK10 P53779 1/20 0.30
KLKB1 P03952 1/20 0.30

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
SCHEMBL31458696 0.86 MAPK1 (0.33) MAPK1LCKMAPK14JAK2PDE5A
SCHEMBL31458730 0.84 JAK2 (0.32) JAK2KLKB1
SCHEMBL31458672 0.79 NUDT1 (0.37) JAK2
SCHEMBL31458577 0.73 MAPK1 (0.32) MAPK1
SCHEMBL25227147 0.68 CD274 (0.39) GRM2MAPK1LCKMAPK14PIM1
SCHEMBL31458746 0.67 PDE1B (0.36) MAPK1PIM1PSEN1PSEN2APH1B
SCHEMBL31458608 0.66 DGAT1 (0.31)
SCHEMBL22247309 0.64 MAOB (0.41)
SCHEMBL22252741 0.63 MAOB (0.37) GRM2MAPK1PIM1JAK2
SCHEMBL31343456 0.63 MAOB (0.37) GRM2MAPK1PIM1JAK2

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