SCHEMBL2521058

SCHEMBL2521058

N#Cc1ccc(-c2nc(N)ncc2NCC2CCCCC2)cc1F

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EGLN2 Q96KS0 1/20 0.39
CYP11B1 P15538 2/20 0.39
CYP11B2 P19099 2/20 0.39
KDM1A O60341 8/20 0.39
TLR9 Q9NR96 2/20 0.37
TLR8 Q9NR97 2/20 0.37
TLR7 Q9NYK1 2/20 0.37
CSNK2A1 P68400 1/20 0.37

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
SCHEMBL2500326 0.78 PRKACA (0.47) CYP11B1CYP11B2
SCHEMBL2506224 0.78 PIK3CD (0.46) CYP11B1CYP11B2
SCHEMBL1317288 0.78 KDM1A (0.42) EGLN2CYP11B1CYP11B2KDM1A
SCHEMBL2510144 0.77 ADORA1 (0.44) CYP11B1CYP11B2
SCHEMBL2507060 0.76 CYP11B2 (0.44) CYP11B1CYP11B2
SCHEMBL2505744 0.71 ADORA1 (0.42) EGLN2CYP11B1CYP11B2
SCHEMBL2522497 0.67 KDM1A (0.44) CYP11B1CYP11B2KDM1ATLR9TLR8
SCHEMBL1318061 0.65 AURKA (0.54) CYP11B1CYP11B2KDM1A
SCHEMBL1317045 0.64 AURKA (0.55) CYP11B1CYP11B2KDM1A
SCHEMBL26443908 0.64 KDM1A (0.47) EGLN2CYP11B1CYP11B2KDM1A

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
EP-2362775-A1 CHEMICAL COMPOUNDS GlaxoSmithKline LLC (US) 2011-09-07 EP disclosed
WO-2010059658-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2010-05-27 WO disclosed