SCHEMBL28633555

SCHEMBL28633555

Cc1cccc(F)c1-c1cc2c(Br)cnc(N)c2cc1C#N

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 3/20 0.42
EGLN2 Q96KS0 3/20 0.35
MAP4K4 O95819 1/20 0.34
KDM1A O60341 3/20 0.34
ALOX5AP P20292 2/20 0.33
FEN1 P39748 2/20 0.33
HTT P42858 1/20 0.33
BCAT1 P54687 1/20 0.33
NSD2 O96028 1/20 0.33
BACE1 P56817 1/20 0.33
KCNH2 Q12809 1/20 0.33
RORC P51449 1/20 0.32
SLC22A12 Q96S37 1/20 0.32
GABRA1 P14867 1/20 0.32
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32
GABRA5 P31644 1/20 0.32
GABRA3 P34903 1/20 0.32
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 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
SCHEMBL28925081 0.79 MAP4K1 (0.43) MAP4K1EGLN2MAP4K4KDM1ABACE1
SCHEMBL28631971 0.75 MAP4K1 (0.51) MAP4K1
SCHEMBL29929741 0.75 MAP4K1 (0.51) MAP4K1
SCHEMBL28638645 0.74 MAP4K3 (0.39) MAP4K1KDM1ARORC
SCHEMBL28927866 0.74 MAP4K1 (0.46) MAP4K1
SCHEMBL28635707 0.71 MAP4K1 (0.43) MAP4K1EGLN2KDM1ACYP11B2
SCHEMBL28631402 0.69 MAP4K1 (0.49) MAP4K1HTTCYP11B1CYP11B2
SCHEMBL29930315 0.69 MAP4K1 (0.49) MAP4K1HTTCYP11B1CYP11B2
SCHEMBL23962778 0.69 MAP4K1 (0.41) MAP4K1EGLN2KDM1A
SCHEMBL23301055 0.68 ALOX5AP (0.40) MAP4K1ALOX5APFEN1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115244050-B Novel HPK1 inhibitor and preparation method and application thereof 轶诺(浙江)药业有限公司 2024-06-21 CN disclosed
CN-115244050-A Novel HPK1 inhibitor and preparation method and application thereof 轶诺(浙江)药业有限公司 2022-10-25 CN disclosed
CN-113336747-A Novel HPK1 inhibitor and preparation method and application thereof 轶诺(浙江)药业有限公司 2021-09-03 CN disclosed