SCHEMBL31469262

SCHEMBL31469262

CN(N)c1ccccc1F

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 3/20 0.45
ACHE P22303 1/20 0.40
TAAR1 Q96RJ0 3/20 0.39
CHEK1 O14757 1/20 0.35
NEK2 P51955 1/20 0.35
LIMK1 P53667 1/20 0.35
DYRK1A Q13627 1/20 0.35
CLK4 Q9HAZ1 1/20 0.35
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
DDB1 Q16531 1/20 0.34
CRBN Q96SW2 1/20 0.34
NFE2L2 Q16236 1/20 0.33
ESR1 P03372 1/20 0.33
GAA P10253 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL4660214 1.00 AOC3 (0.45) AOC3ACHETAAR1CHEK1NEK2
Hydrochloric Acid SCHEMBL4660143 0.98 AOC3 (0.44) AOC3ACHETAAR1CHEK1NEK2
SCHEMBL18831353 0.79 HSD17B1 (0.38) AOC3ACHETAAR1ALDH1A1KDM4E
SCHEMBL29419644 0.79 MAPT (0.44) AOC3ACHETAAR1CHEK1NEK2
SCHEMBL14403357 0.79 ACHE (0.43) AOC3ACHETAAR1ALDH1A1KDM4E
SCHEMBL3835199 0.79 MAPT (0.44) AOC3ACHETAAR1CHEK1NEK2
SCHEMBL11197865 0.79 AOC3 (0.39) AOC3ACHETAAR1ALDH1A1NFE2L2
SCHEMBL17508132 0.77 ACHE (0.42) AOC3ACHETAAR1CHEK1NEK2
SCHEMBL13504583 0.77 MAPT (0.43) AOC3ACHETAAR1CHEK1NEK2
SCHEMBL17425301 0.75 ACHE (0.40) AOC3ACHETAAR1ALDH1A1KDM4E

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-122029158-A EGFR inhibitors 缆图药品公司 2026-05-12 CN disclosed
WO-2025080784-A1 EGFR INHIBITORS BLUEPRINT MEDICINES CORPORATION (US) 2025-04-17 WO disclosed