SCHEMBL31153372

SCHEMBL31153372

CSc1ncc(CO)c(N[C@@H]2CCC[C@@H](O)C2)n1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MERTK Q12866 1/20 0.43
MAPK8 P45983 13/20 0.42
MAPK9 P45984 6/20 0.42
HTT P42858 1/20 0.40
IRAK1 P51617 1/20 0.38
CDK2 P24941 1/20 0.37
JAK1 P23458 1/20 0.37
JAK3 P52333 1/20 0.37
MEN1 O00255 1/20 0.36
GABBR2 O75899 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
KMT2A Q03164 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
GABBR1 Q9UBS5 1/20 0.36

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
SCHEMBL19857335 1.00 MERTK (0.43) MERTKMAPK8MAPK9HTTIRAK1
SCHEMBL22860693 0.90 MERTK (0.46) MERTKHTTJAK3MEN1GABBR2
SCHEMBL2622288 0.87 GABBR2 (0.47) MERTKHTTCDK2JAK3MEN1
SCHEMBL4713140 0.86 GABBR2 (0.46) MERTKHTTJAK3MEN1GABBR2
SCHEMBL4711841 0.86 GABBR2 (0.46) MERTKHTTJAK3MEN1GABBR2
SCHEMBL4715006 0.85 MERTK (0.50) MERTKHTTJAK3MEN1GABBR2
SCHEMBL19857398 0.82 MAPK8 (0.45) MERTKMAPK8MAPK9IRAK1CDK2
SCHEMBL29507857 0.81 HTT (0.44) MERTKHTTJAK3MEN1GABBR2
SCHEMBL24669666 0.81 HTT (0.42) MERTKMAPK8HTTIRAK1JAK1
SCHEMBL29507825 0.80 MERTK (0.46) MERTKHTTJAK3MEN1GABBR2

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
CN-114394966-B Pyridopyrimidinone CDK2/4/6 inhibitors 辉瑞公司 2024-10-11 CN disclosed