SCHEMBL28669409

SCHEMBL28669409

NC(=O)Oc1ccc(-c2ccnc(Cl)n2)cc1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 2/20 0.48
KMO O15229 2/20 0.44
KIF11 P52732 1/20 0.43
MAPT P10636 5/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MEN1 O00255 5/20 0.42
KMT2A Q03164 5/20 0.42
NPC1 O15118 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
HTT P42858 1/20 0.38
PIK3CA P42336 1/20 0.37
PIK3CB P42338 1/20 0.37
PIK3CG P48736 1/20 0.37
IKBKB O14920 1/20 0.37
AAK1 Q2M2I8 1/20 0.36
KDM4E B2RXH2 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL29623827 1.00 MAP4K4 (0.48) MAP4K4KMOKIF11MAPTL3MBTL1
SCHEMBL29131069 0.83 MEN1 (0.50) KMOMAPTMEN1KMT2ANPC1
SCHEMBL28744879 0.80 PLAAT3 (0.45) MAP4K4KIF11MEN1KMT2ASMN1; SMN2
SCHEMBL29223622 0.79 MAP4K4 (0.50) MAP4K4KMOKIF11MEN1KMT2A
SCHEMBL29131077 0.78 MAP4K4 (0.45) MAP4K4KMOMAPTL3MBTL1MEN1
SCHEMBL212750 0.76 NPC1 (0.61) MAPTL3MBTL1MEN1KMT2ANPC1
SCHEMBL29763706 0.75 KCNH2 (0.49) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL15881243 0.75 LMNA (0.35) MAP4K4KMOL3MBTL1MEN1KMT2A
SCHEMBL27913276 0.75 CYP2D6 (0.53) KIF11MAPTMEN1KMT2ANPC1
SCHEMBL29069789 0.75 KIF11 (0.42) KMOKIF11MAPTMEN1KMT2A

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-113583020-B JAK2 inhibitor and application 百极弘烨(广东)医药科技有限公司 2022-04-22 CN disclosed
CN-113583020-A JAK2 inhibitor and application 百极弘烨(南通)医药科技有限公司 2021-11-02 CN disclosed