SCHEMBL31174591

SCHEMBL31174591

CONC(=O)c1ccccc1Nc1nc(Nc2ccc(N3CCOCC3)cc2OC)ncc1Cl

nearest known ligand 0.87

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 6/20 0.87
INSR P06213 6/20 0.87
PTK2 Q05397 5/20 0.87
IGF1R P08069 5/20 0.87
MAPK9 P45984 4/20 0.87
MAPK10 P53779 4/20 0.87
LRRK2 Q5S007 3/20 0.87
EGFR P00533 3/20 0.87
MAPK8 P45983 2/20 0.87
PTK2B Q14289 2/20 0.87
CDC7 O00311 1/20 0.87
PLK4 O00444 1/20 0.87
CHEK1 O14757 1/20 0.87
AURKA O14965 1/20 0.87
DCLK1 O15075 1/20 0.87
PDPK1 O15530 1/20 0.87
DAPK3 O43293 1/20 0.87
DYRK3 O43781 1/20 0.87
JAK2 O60674 1/20 0.87
PRKD3 O94806 1/20 0.87

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
SCHEMBL29730430 0.93 PTK2 (1.00) ALKINSRPTK2IGF1RMAPK9
SCHEMBL29378728 0.93 PTK2 (1.00) ALKINSRPTK2IGF1RMAPK9
SCHEMBL375524 0.93 PTK2 (1.00) ALKINSRPTK2IGF1RMAPK9
SCHEMBL31174596 0.91 ULK1 (0.87) ALKINSRPTK2IGF1RMAPK9
SCHEMBL375436 0.91 MAPK9 (0.86) ALKINSRPTK2IGF1RMAPK9
SCHEMBL17544456 0.90 PTK2 (0.94) ALKINSRPTK2IGF1RMAPK9
SCHEMBL31174595 0.88 PTK2 (0.82) ALKINSRPTK2IGF1RMAPK9
SCHEMBL31174581 0.88 ULK1 (0.72) ALKINSRPTK2IGF1RMAPK9
SCHEMBL16385715 0.88 MAPK9 (0.80) ALKINSRPTK2IGF1RMAPK9
SCHEMBL3775588 0.86 MAPK10 (0.86) ALKINSRPTK2IGF1RMAPK9

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-118772064-A Pyrimidine compound containing nitrogen methoxy benzamide and preparation method and application thereof 贵州大学 2024-10-15 CN disclosed