SCHEMBL29034824

SCHEMBL29034824

CNC(=O)c1ccccc1Nc1nc(Nc2ccc(CC(=O)O)cc2)ncc1Cl

nearest known ligand 0.72

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PTK2 Q05397 12/20 0.72
▸ ULK1 O75385 2/20 0.69
▸ MAPK8 P45983 1/20 0.67
▸ MAPK9 P45984 1/20 0.67
▸ MAPK10 P53779 1/20 0.67
▸ INSR P06213 1/20 0.67
▸ IGF1R P08069 1/20 0.67
▸ PTK2B Q14289 1/20 0.67
▸ PKMYT1 Q99640 1/20 0.67
▸ HDAC3 O15379 1/20 0.66
▸ HDAC1 Q13547 1/20 0.66
▸ HDAC2 Q92769 1/20 0.66
▸ HDAC6 Q9UBN7 1/20 0.66
▸ SLC2A1 P11166 1/20 0.66
▸ EGFR P00533 2/20 0.65
▸ MET P08581 1/20 0.63
▸ ALK Q9UM73 1/20 0.63
▸ AURKA O14965 1/20 0.62

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
SCHEMBL22144557 0.90 ULK1 (0.81) PTK2ULK1MAPK8MAPK9MAPK10
SCHEMBL2637033 0.87 PTK2 (0.79) PTK2ULK1MAPK8MAPK9MAPK10
SCHEMBL2029934 0.83 PTK2 (1.00) PTK2ULK1MAPK8MAPK9MAPK10
SCHEMBL1038459 0.82 ALK (0.63) PTK2MAPK9MAPK10INSRMET
SCHEMBL17547514 0.82 ULK1 (1.00) PTK2ULK1MAPK8MAPK9MAPK10
SCHEMBL12311805 0.82 ULK1 (0.82) PTK2ULK1MAPK8MAPK9MAPK10
SCHEMBL2593046 0.81 ALK (0.77) PTK2ULK1MAPK8MAPK9MAPK10
SCHEMBL25668076 0.81 PTK2 (0.84) PTK2ULK1MAPK8MAPK9MAPK10
SCHEMBL2029937 0.81 PTK2 (0.66) PTK2ULK1MAPK8MAPK9MAPK10
SCHEMBL17547487 0.80 ULK1 (0.83) PTK2ULK1MAPK8MAPK9MAPK10

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116425735-B 2, 4-Diphenylamine pyrimidine derivative, and preparation method and application thereof 中南大学 2025-06-17 — — CN disclosed
CN-116425735-A 2, 4-diphenylamine pyrimidine derivative, and preparation method and application thereof 中南大学 2023-07-14 — — CN disclosed
Send feedback