SCHEMBL4343758

SCHEMBL4343758

O=Cc1c[nH]c2ncc(NC(=O)Cc3ccccc3)cc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 1/20 0.50
▸ ROCK2 O75116 3/20 0.47
▸ AURKA O14965 2/20 0.47
▸ AAK1 Q2M2I8 1/20 0.47
▸ EPHX2 P34913 1/20 0.47
▸ KMT2A Q03164 3/20 0.46
▸ HDAC3 O15379 2/20 0.46
▸ HDAC4 P56524 2/20 0.46
▸ HDAC1 Q13547 2/20 0.46
▸ HDAC8 Q9BY41 2/20 0.46
▸ HDAC6 Q9UBN7 2/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ POLB P06746 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ ROCK1 Q13464 2/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ CCKBR P32239 1/20 0.43
▸ BTK Q06187 2/20 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
SCHEMBL4348573 0.89 HDAC3 (0.49) NAMPTROCK2AURKAAAK1EPHX2
SCHEMBL4348583 0.89 HDAC3 (0.49) NAMPTROCK2AURKAAAK1EPHX2
SCHEMBL4346709 0.86 MAP3K7 (0.48) NAMPTROCK2AURKAAAK1EPHX2
SCHEMBL4346713 0.86 MAP3K7 (0.48) NAMPTROCK2AURKAAAK1EPHX2
SCHEMBL5260705 0.85 KMT2A (0.46) NAMPTROCK2AURKAAAK1EPHX2
SCHEMBL5262252 0.85 KMT2A (0.46) NAMPTROCK2AURKAAAK1EPHX2
SCHEMBL4343841 0.83 GSK3B (0.51) NAMPTHDAC3HDAC4HDAC1HDAC8
SCHEMBL5259595 0.83 KMT2A (0.44) NAMPTROCK2AURKAAAK1EPHX2
SCHEMBL4343847 0.83 GSK3B (0.51) NAMPTHDAC3HDAC4HDAC1HDAC8
SCHEMBL5259592 0.83 KMT2A (0.44) NAMPTROCK2AURKAAAK1EPHX2

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-2070928-A1 7-azaindol-3-ylacrylamides active as kinase inhibitors NERVIANO MEDICAL SCIENCES S.r.l. (IT) 2009-06-17 — — EP disclosed
EP-2070928-A1 7-azaindol-3-ylacrylamides active as kinase inhibitors NERVIANO MEDICAL SCIENCES S.r.l. (IT) 2009-06-17 — — EP disclosed
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