SCHEMBL3714490

SCHEMBL3714490

Brc1cc(-c2ccc(C#Cc3ccc(CN4CCOCC4)cc3)cc2)cc2ccncc12

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.47
AURKA O14965 2/20 0.43
JAK2 O60674 1/20 0.41
PRMT6 Q96LA8 1/20 0.40
MMP2 P08253 1/20 0.40
MMP8 P22894 1/20 0.40
MMP13 P45452 1/20 0.40
ATM Q13315 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
DYRK1A Q13627 1/20 0.40
CHEK1 O14757 1/20 0.39
ACHE P22303 1/20 0.39
ALOX5 P09917 1/20 0.39

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
SCHEMBL13188594 0.94 HRH3 (0.54) HRH3AURKAJAK2PRMT6ATM
SCHEMBL3714557 0.84 HDAC3 (0.47) MMP2MMP8MMP13DYRK1A
SCHEMBL3713224 0.82 JAK2 (0.41) HRH3AURKAJAK2PRMT6MMP2
SCHEMBL3713512 0.81 TBK1 (0.43) MMP2MMP8MMP13DYRK1A
SCHEMBL3710203 0.80 JAK2 (0.44) HRH3AURKAJAK2ATML3MBTL1
SCHEMBL13188416 0.76 HRH3 (0.48) HRH3AURKAJAK2PRMT6ATM
SCHEMBL3718099 0.76 MMP2 (0.44) MMP2MMP8MMP13
SCHEMBL15919371 0.76 ACP1 (0.46) HRH3JAK2DYRK1A
SCHEMBL3713020 0.76 PIK3CD (0.41) MMP2MMP8MMP13DYRK1A
SCHEMBL3714355 0.74 MMP2 (0.42) MMP2MMP8MMP13DYRK1A

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-2010100475-A1 HYDROXAMIC ACID DERIVATIVES AS GRAM-NEGATIVE ANTIBACTERIAL AGENTS ASTRAZENECA AB (SE) 2010-09-10 WO disclosed