SCHEMBL4350430

SCHEMBL4350430

NC[C@H](COc1ccccc1)NC(=O)/C=C/c1c[nH]c2ncccc12

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.42
HDAC3 O15379 11/20 0.41
HDAC4 P56524 11/20 0.41
HDAC1 Q13547 11/20 0.41
HDAC7 Q8WUI4 11/20 0.41
HDAC2 Q92769 11/20 0.41
HDAC10 Q969S8 11/20 0.41
HDAC11 Q96DB2 11/20 0.41
HDAC8 Q9BY41 11/20 0.41
HDAC6 Q9UBN7 11/20 0.41
HDAC9 Q9UKV0 11/20 0.41
HDAC5 Q9UQL6 11/20 0.41
AKT1 P31749 2/20 0.40
GSK3B P49841 2/20 0.40
AURKA O14965 1/20 0.39
AURKB Q96GD4 1/20 0.39
MAP3K7 O43318 1/20 0.39
TAB1 Q15750 1/20 0.39

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
SCHEMBL4350437 1.00 KMT2A (0.42) KMT2AHDAC3HDAC4HDAC1HDAC7
SCHEMBL4348278 0.86 GSK3B (0.52) KMT2AHDAC1HDAC6AKT1GSK3B
SCHEMBL4348275 0.86 GSK3B (0.52) KMT2AHDAC1HDAC6AKT1GSK3B
SCHEMBL4353050 0.85 KDM4E (0.40) KMT2AHDAC3HDAC4HDAC1HDAC7
SCHEMBL4353056 0.85 KDM4E (0.40) KMT2AHDAC3HDAC4HDAC1HDAC7
Hydrochloric Acid SCHEMBL4348331 0.85 GSK3B (0.51) KMT2AHDAC1HDAC6AKT1GSK3B
Hydrochloric Acid SCHEMBL4348323 0.85 GSK3B (0.51) KMT2AHDAC1HDAC6AKT1GSK3B
Hydrochloric Acid SCHEMBL4351327 0.83 GSK3B (0.43) KMT2AHDAC1HDAC6AKT1GSK3B
Hydrochloric Acid SCHEMBL4351321 0.83 GSK3B (0.43) KMT2AHDAC1HDAC6AKT1GSK3B
SCHEMBL4358930 0.83 AURKA (0.53) KMT2AHDAC1HDAC6AKT1GSK3B

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