SCHEMBL29812331

SCHEMBL29812331

CNC(=O)c1c(-c2ccc(F)cc2)c(=O)c(C(N)=O)cn1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 9/20 0.39
MAP2K2 P36507 7/20 0.39
BRD4 O60885 1/20 0.37
KDM4E B2RXH2 1/20 0.37
NPC1 O15118 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
RAB9A P51151 1/20 0.37
IKBKB O14920 4/20 0.37
NR4A2 P43354 1/20 0.36
MEN1 O00255 1/20 0.34
JAK2 O60674 1/20 0.34
EIF2AK2 P19525 1/20 0.34
KMT2A Q03164 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
MET P08581 1/20 0.34
AXL P30530 1/20 0.34
IDO1 P14902 1/20 0.33
TDO2 P48775 1/20 0.33

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
SCHEMBL28346481 0.88 MAP2K1 (0.40) MAP2K1MAP2K2BRD4KDM4EIKBKB
SCHEMBL29720980 0.84 TGFBR1 (0.39) KDM4ENPC1ALDH1A1HPGDRAB9A
SCHEMBL29812350 0.82 IKBKB (0.41) MAP2K1MAP2K2IKBKBMEN1JAK2
SCHEMBL29811076 0.80 MAP2K1 (0.40) MAP2K1MAP2K2BRD4KDM4EALDH1A1
SCHEMBL29812405 0.77 MAP2K1 (0.35) MAP2K1MAP2K2KDM4EIKBKBMEN1
SCHEMBL29811051 0.77 POLB (0.40) MAP2K1MAP2K2BRD4NPC1ALDH1A1
SCHEMBL29812100 0.77 MAP2K2 (0.35) MAP2K1MAP2K2IKBKBMEN1JAK2
SCHEMBL29720908 0.76 GRIA2 (0.39) MAP2K1MAP2K2ALDH1A1IKBKBMEN1
SCHEMBL29720900 0.74 TGFBR1 (0.42) IKBKBMEN1JAK2EIF2AK2KMT2A
SCHEMBL29812363 0.74 POLB (0.35) MAP2K1MAP2K2MET

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-114787144-A Pyridone compounds and methods for modulating protein kinases 埃克塞里艾克西斯公司 2022-07-22 CN disclosed