SCHEMBL3229455

SCHEMBL3229455

COc1ccc2c(c1)c(C#N)cn2CCC(C)(C)C(O[SiH2]C)O[SiH2]C

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PDE4B Q07343 1/20 0.41
▸ L3MBTL1 Q9Y468 3/20 0.40
▸ MAPT P10636 3/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ HTT P42858 3/20 0.40
▸ LMNA P02545 2/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ PFKFB2 O60825 1/20 0.39
▸ PFKFB1 P16118 1/20 0.39
▸ PFKFB3 Q16875 1/20 0.39
▸ XDH P47989 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38

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
SCHEMBL3111324 0.94 HTT (0.43) PDE4BL3MBTL1MAPTNPSR1HTT
SCHEMBL3101413 0.84 MAPT (0.52) L3MBTL1MAPTHTTLMNASMN1; SMN2
SCHEMBL2760552 0.78 MAPT (0.56) L3MBTL1MAPTHTTLMNASMN1; SMN2
SCHEMBL3109176 0.74 GSK3B (0.61) PDE4B
SCHEMBL1779585 0.73 L3MBTL1 (0.45) PDE4BL3MBTL1MAPTNPSR1HTT
SCHEMBL1780510 0.72 HTT (0.47) PDE4BL3MBTL1MAPTNPSR1HTT
SCHEMBL1777994 0.70 IMPDH2 (0.56) PDE4BL3MBTL1MAPTHTTMEN1
SCHEMBL1780399 0.69 ALDH1A1 (0.64) MAPTHTTLMNASMN1; SMN2TDP1
SCHEMBL3113427 0.69 GSK3B (0.59) PDE4B
SCHEMBL984866 0.67 L3MBTL1 (0.47) L3MBTL1MAPTNPSR1HTTLMNA

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
EP-1990343-B1 Azaindoles AVENTIS PHARMA LTD (GB) 2012-04-04 — — EP disclosed
EP-1263759-B1 AZAINDOLES AVENTIS PHARMA LTD (GB) 2010-09-08 — — EP disclosed
EP-1990343-A2 Azaindoles Aventis Pharma Limited (GB) 2008-11-12 — — EP disclosed
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