SCHEMBL3724788

SCHEMBL3724788

COC(=O)c1cc(-c2cnn(Cc3ccccc3)c2)cs1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.52
CREBBP Q92793 4/20 0.49
NAMPT P43490 1/20 0.46
FFAR4 Q5NUL3 1/20 0.45
POLQ O75417 1/20 0.45
SCD O00767 2/20 0.44
SCD5 Q86SK9 2/20 0.44
IKBKE Q14164 2/20 0.44
TBK1 Q9UHD2 2/20 0.44
COMT P21964 1/20 0.44
PIK3CD O00329 1/20 0.43
PIK3CA P42336 1/20 0.43
PIK3CB P42338 1/20 0.43
PI4KA P42356 1/20 0.43
PIK3CG P48736 1/20 0.43
PI4KB Q9UBF8 1/20 0.43
DHODH Q02127 1/20 0.43

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
SCHEMBL3722206 0.80 POLQ (0.52) L3MBTL1CREBBPPOLQ
SCHEMBL13260970 0.80 POLQ (0.48) L3MBTL1CREBBPNAMPTPOLQSCD
SCHEMBL3724299 0.80 POLQ (0.50) L3MBTL1CREBBPPOLQ
SCHEMBL13555495 0.77 L3MBTL1 (0.58) L3MBTL1CREBBPNAMPTFFAR4
SCHEMBL2326735 0.76 HDAC6 (0.57)
SCHEMBL3765456 0.75 KLKB1 (0.53) L3MBTL1CREBBPSCD5
SCHEMBL5406806 0.73 KDR (0.56) IKBKEPIK3CD
SCHEMBL14340939 0.72 L3MBTL1 (0.58) L3MBTL1CREBBPNAMPTFFAR4DHODH
SCHEMBL3731459 0.72 L3MBTL1 (0.51) L3MBTL1CREBBPNAMPTPOLQSCD
SCHEMBL27826834 0.71 ABL1 (0.51) L3MBTL1

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
WO-2010093885-A1 INHIBITORS OF AKT ACTIVITY GLAXOSMITHKLINE LLC (US) 2010-08-19 WO disclosed
WO-2010093885-A1 INHIBITORS OF AKT ACTIVITY GLAXOSMITHKLINE LLC (US) 2010-08-19 WO disclosed