SCHEMBL4346709

SCHEMBL4346709

NC(=O)/C=C/c1c[nH]c2ncc(NC(=O)Cc3ccccc3)cc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAP3K7 O43318 3/20 0.48
▸ TAB1 Q15750 3/20 0.48
▸ HDAC3 O15379 4/20 0.47
▸ HDAC1 Q13547 4/20 0.47
▸ HDAC8 Q9BY41 4/20 0.47
▸ HDAC4 P56524 2/20 0.47
▸ HDAC6 Q9UBN7 2/20 0.47
▸ NAMPT P43490 1/20 0.46
▸ AAK1 Q2M2I8 1/20 0.46
▸ AURKA O14965 2/20 0.43
▸ ROCK2 O75116 2/20 0.43
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ EPHX2 P34913 1/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ BTK Q06187 1/20 0.42
▸ ROCK1 Q13464 1/20 0.41

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
SCHEMBL4346713 1.00 MAP3K7 (0.48) MAP3K7TAB1HDAC3HDAC1HDAC8
SCHEMBL4348583 0.93 HDAC3 (0.49) HDAC3HDAC1HDAC8HDAC4HDAC6
SCHEMBL4348573 0.93 HDAC3 (0.49) HDAC3HDAC1HDAC8HDAC4HDAC6
SCHEMBL4343841 0.87 GSK3B (0.51) HDAC3HDAC1HDAC8HDAC4HDAC6
SCHEMBL4343847 0.87 GSK3B (0.51) HDAC3HDAC1HDAC8HDAC4HDAC6
SCHEMBL4343758 0.86 NAMPT (0.50) HDAC3HDAC1HDAC8HDAC4HDAC6
SCHEMBL7673783 0.85 MAPT (0.50) HDAC1MEN1KMT2APOLBRAB9A
SCHEMBL7673780 0.85 MAPT (0.50) HDAC1MEN1KMT2APOLBRAB9A
SCHEMBL4343457 0.84 PRKD3 (0.53) MAP3K7TAB1AAK1AURKAROCK2
SCHEMBL4343461 0.84 PRKD3 (0.53) MAP3K7TAB1AAK1AURKAROCK2

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