SCHEMBL29131077

SCHEMBL29131077

NC(=O)OCc1ccc(-c2ccnc(Cl)n2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 2/20 0.45
KMO O15229 2/20 0.41
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
MAPT P10636 3/20 0.39
L3MBTL1 Q9Y468 2/20 0.37
AAK1 Q2M2I8 2/20 0.37
CLK1 P49759 1/20 0.36
CLK2 P49760 1/20 0.36
DYRK1A Q13627 1/20 0.36
CLK4 Q9HAZ1 1/20 0.36
DYRK1B Q9Y463 1/20 0.36
RAB9A P51151 2/20 0.36
NPC1 O15118 1/20 0.36
ATM Q13315 1/20 0.36
AKT3 Q9Y243 1/20 0.35
POLB P06746 1/20 0.35
DHODH Q02127 1/20 0.35
FFAR1 O14842 1/20 0.34
KDM4E B2RXH2 1/20 0.34

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
SCHEMBL28238225 0.80 KMO (0.43) MAP4K4KMOAAK1POLBKDM4E
SCHEMBL28669409 0.78 MAP4K4 (0.48) MAP4K4KMOMEN1KMT2AMAPT
SCHEMBL29623827 0.78 MAP4K4 (0.48) MAP4K4KMOMEN1KMT2AMAPT
SCHEMBL15577810 0.78 DYRK1A (0.46) KMOMEN1KMT2AMAPTL3MBTL1
SCHEMBL29131086 0.77 BTK (0.39) MEN1KMT2AL3MBTL1POLBKDM4E
SCHEMBL3401316 0.76 ROCK2 (0.58) MAPTRAB9ANPC1POLBSMN1; SMN2
SCHEMBL28609201 0.76 AOC3 (0.36) MAP4K4MAPTRAB9ANPC1POLB
SCHEMBL25854880 0.76 MAPT (0.45) KMOMEN1KMT2AMAPTL3MBTL1
SCHEMBL978578 0.76 MEN1 (0.44) MAP4K4KMOMEN1KMT2AMAPT
SCHEMBL12921675 0.76 ADRB2 (0.47) MAP4K4KMOMEN1KMT2AMAPT

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-117088851-A Pyrimidine amine NUAK inhibitor and preparation method and application thereof 特科罗生物科技(成都)有限公司 2023-11-21 CN disclosed