SCHEMBL13625177

SCHEMBL13625177

CSc1ncc(C#N)c(NC2CC[C@@H](O)C2)n1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MERTK Q12866 3/20 0.49
LRRK2 Q5S007 2/20 0.41
CHUK O15111 1/20 0.40
MAPK8 P45983 5/20 0.37
PRKCQ Q04759 3/20 0.36
PRKCD Q05655 2/20 0.36
KDM4E B2RXH2 1/20 0.36
JAK3 P52333 4/20 0.35
JAK2 O60674 2/20 0.35
IRAK1 P51617 1/20 0.35
TYRO3 Q06418 2/20 0.35
FLT3 P36888 1/20 0.35
GAS6 Q14393 1/20 0.35
AXL P30530 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
HRH1 P35367 1/20 0.35
JAK1 P23458 3/20 0.34
MAPK9 P45984 4/20 0.34

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
SCHEMBL1227632 1.00 MERTK (0.49) MERTKLRRK2CHUKMAPK8PRKCQ
SCHEMBL1227635 1.00 MERTK (0.49) MERTKLRRK2CHUKMAPK8PRKCQ
SCHEMBL1227640 1.00 MERTK (0.49) MERTKLRRK2CHUKMAPK8PRKCQ
SCHEMBL14656110 0.93 MERTK (0.43) MERTKLRRK2MAPK8JAK3JAK2
SCHEMBL14657460 0.87 MAPK8 (0.42) MERTKLRRK2CHUKMAPK8PRKCQ
SCHEMBL28455414 0.84 MAPK8 (0.37) MERTKMAPK8JAK3JAK2CYP2C9
SCHEMBL1226660 0.83 LRRK2 (0.44) MERTKLRRK2CHUKPRKCQKDM4E
SCHEMBL1227148 0.83 MEN1 (0.47) MERTKLRRK2CHUKPRKCQKDM4E
SCHEMBL16822051 0.82 PRKCQ (0.53) MERTKLRRK2CHUKPRKCQPRKCD
SCHEMBL16822047 0.82 PRKCQ (0.53) MERTKLRRK2CHUKPRKCQPRKCD

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-2009132980-A1 PYRIMIDINYL PYRIDONE INHIBITORS OF JNK. F. HOFFMANN-LA ROCHE AG (CH) 2009-11-05 WO disclosed