SCHEMBL24565639

SCHEMBL24565639

COc1nc(F)c(Br)cc1N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MAPT P10636 2/20 0.39
CASP1 P29466 1/20 0.39
AURKA O14965 1/20 0.38
TTK P33981 1/20 0.38
AURKB Q96GD4 1/20 0.38
INCENP Q9NQS7 1/20 0.38
PIK3CA P42336 2/20 0.35
NPSR1 Q6W5P4 1/20 0.33
ULK1 O75385 1/20 0.33
ALDH1A1 P00352 1/20 0.33
ALOX5AP P20292 1/20 0.33
FEN1 P39748 1/20 0.33
P2RX3 P56373 2/20 0.33
P2RX2 Q9UBL9 2/20 0.33
AXL P30530 1/20 0.32
TERT O14746 1/20 0.31
MEN1 O00255 1/20 0.31
NPC1 O15118 1/20 0.31

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
SCHEMBL23525716 0.85 POLB (0.44) POLBL3MBTL1MAPTCASP1AURKA
SCHEMBL25381145 0.82 ULK1 (0.38) POLBL3MBTL1MAPTNPSR1ULK1
SCHEMBL29091371 0.82 MAPT (0.38) POLBL3MBTL1MAPTCASP1AURKA
SCHEMBL30558701 0.82 ULK1 (0.38) POLBL3MBTL1MAPTNPSR1ULK1
SCHEMBL790423 0.78 POLB (0.45) POLBL3MBTL1MAPTCASP1AURKA
SCHEMBL27038989 0.77 POLB (0.35) POLBL3MBTL1MAPTCASP1AURKA
SCHEMBL23620104 0.75 PIK3CA (0.40) POLBL3MBTL1MAPTCASP1AURKA
SCHEMBL17671136 0.75 POLB (0.39) POLBL3MBTL1MAPTCASP1AURKA
SCHEMBL33961 0.74 MAPT (0.44) POLBL3MBTL1MAPTCASP1AURKA
SCHEMBL4864975 0.74 MAPT (0.44) POLBL3MBTL1MAPTCASP1AURKA

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
WO-2022140527-A1 6-HETEROARYLOXY BENZIMIDAZOLES AND AZABENZIMIDAZOLES AS JAK2 INHIBITORS AJAX THERAPEUTICS, INC. (US) 2022-06-30 WO disclosed