SCHEMBL31458626

SCHEMBL31458626

Brc1ccn2nc(NC3CCOCC3)nc2c1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AHR P35869 1/20 0.43
MAPK1 P28482 9/20 0.41
PIM1 P11309 3/20 0.36
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
HRH4 Q9H3N8 1/20 0.36
MAPK8 P45983 2/20 0.35
MAPK9 P45984 2/20 0.35
MAPK10 P53779 2/20 0.35
MKNK1 Q9BUB5 1/20 0.35
MKNK2 Q9HBH9 1/20 0.35
IRAK4 Q9NWZ3 1/20 0.34
CCNA2 P20248 2/20 0.34
CDK2 P24941 2/20 0.34
MAPK3 P27361 2/20 0.34
PTGS2 P35354 1/20 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
SCHEMBL31458748 0.77 MAPK1 (0.35) MAPK1PIM1HRH4MAPK8MAPK9
SCHEMBL31458619 0.74 PIM1 (0.37) MAPK1PIM1MAPK8MAPK9MAPK10
SCHEMBL31458620 0.74 PIM1 (0.37) MAPK1PIM1MAPK8MAPK9MAPK10
SCHEMBL9105471 0.73 AHR (0.44) AHRPIM1HRH4
SCHEMBL31204174 0.73 AHR (0.40) AHRMAPK1MKNK1MKNK2
SCHEMBL23753764 0.72 AHR (0.53) AHR
SCHEMBL31458578 0.72 CDK2 (0.44) MAPK1PIM1MAPK8MAPK9MAPK10
SCHEMBL25149370 0.71 MAPK1 (0.48) MAPK1HDAC3HDAC1HDAC2HDAC6
SCHEMBL25833718 0.71 JAK1 (0.48)
SCHEMBL9109849 0.70 AHR (0.47) AHRMAPK1

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