SCHEMBL31436629

SCHEMBL31436629

CNC(=O)c1cnc(Cl)cc1NC

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 2/20 0.45
NNMT P40261 1/20 0.41
NUDT1 P36639 3/20 0.41
LRRK2 Q5S007 1/20 0.40
TYK2 P29597 8/20 0.39
JAK2 O60674 7/20 0.39
JAK1 P23458 7/20 0.39
PDE4D Q08499 3/20 0.39
PDE10A Q9Y233 1/20 0.38
CASP1 P29466 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GLA P06280 1/20 0.37
GAA P10253 1/20 0.37
ULK1 O75385 1/20 0.36
KIT P10721 1/20 0.36
KCNH2 Q12809 1/20 0.36
MAPK8 P45983 1/20 0.36
MAPK10 P53779 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
SCHEMBL26598641 1.00 IRAK4 (0.45) IRAK4NNMTNUDT1LRRK2TYK2
SCHEMBL31678676 0.91 IRAK4 (0.39) IRAK4NNMTNUDT1LRRK2TYK2
SCHEMBL31678695 0.91 IRAK4 (0.39) IRAK4NNMTNUDT1LRRK2TYK2
SCHEMBL25074121 0.87 NNMT (0.43) IRAK4NNMTKDM4EALDH1A1GLA
SCHEMBL30043246 0.87 NNMT (0.43) IRAK4NNMTKDM4EALDH1A1GLA
SCHEMBL6223582 0.84 KDM4C (0.46) NNMTLRRK2KDM4EALDH1A1GLA
SCHEMBL31436671 0.84 IRAK4 (0.39) IRAK4NNMTNUDT1TYK2JAK2
SCHEMBL31678698 0.84 LRRK2 (0.39) IRAK4NNMTLRRK2JAK2JAK1
SCHEMBL31436577 0.84 IRAK4 (0.55) IRAK4
SCHEMBL26598686 0.84 IRAK4 (0.39) IRAK4NNMTNUDT1TYK2JAK2

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-119585250-A KIT inhibitors 蓝图药品公司 2025-03-07 CN disclosed