SCHEMBL31403809

SCHEMBL31403809

c1cnn2c(-c3ccc(-c4cn[nH]c4)cc3)cnc2c1

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 1/20 0.61
KLK7 P49862 1/20 0.52
DYRK1A Q13627 2/20 0.48
CHEK1 O14757 12/20 0.48
CHEK2 O96017 5/20 0.48
AKT1 P31749 1/20 0.45
AKT2 P31751 1/20 0.45
PRMT5 O14744 1/20 0.44
WDR77 Q9BQA1 1/20 0.44
ABL1 P00519 3/20 0.42
FYN P06241 1/20 0.41
JAK1 P23458 1/20 0.41

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
SCHEMBL31403778 0.93 MKNK1 (0.62) MKNK1KLK7DYRK1ACHEK1CHEK2
SCHEMBL22189861 0.78 MKNK1 (0.77) MKNK1KLK7DYRK1APRMT5WDR77
SCHEMBL1054031 0.77 MKNK1 (0.71) MKNK1KLK7DYRK1APRMT5WDR77
SCHEMBL16331591 0.77 MKNK1 (0.71) MKNK1KLK7DYRK1APRMT5WDR77
SCHEMBL1744648 0.77 MKNK1 (1.00) MKNK1KLK7DYRK1AFYN
SCHEMBL16331207 0.74 MKNK1 (0.61) MKNK1KLK7DYRK1APRMT5WDR77
SCHEMBL16332724 0.74 MKNK1 (0.65) MKNK1KLK7DYRK1APRMT5WDR77
SCHEMBL16331312 0.71 MKNK1 (0.61) MKNK1KLK7DYRK1APRMT5WDR77
SCHEMBL3357770 0.71 MKNK1 (0.71) MKNK1KLK7DYRK1APRMT5WDR77
SCHEMBL16332731 0.71 MKNK1 (0.60) MKNK1KLK7DYRK1APRMT5WDR77

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-2025076290-A1 5-6-5/6-BISARYL COMPOUNDS AS FLT3 INHIBITORS PURDUE RESEARCH FOUNDATION (US) 2025-04-10 WO disclosed