SCHEMBL4355635

SCHEMBL4355635

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

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.46
MAP2K1 Q02750 1/20 0.40
AURKA O14965 1/20 0.40
AURKB Q96GD4 1/20 0.40
HDAC1 Q13547 2/20 0.40
HDAC6 Q9UBN7 1/20 0.40
AKT1 P31749 2/20 0.39
MTNR1A P48039 1/20 0.39
MAP3K7 O43318 2/20 0.39
TAB1 Q15750 2/20 0.39
GSK3B P49841 3/20 0.38
CCNT1 O60563 2/20 0.38
CDK9 P50750 2/20 0.38
HASPIN Q8TF76 2/20 0.38
CAMKK2 Q96RR4 1/20 0.37
CHEK1 O14757 2/20 0.36
GPR84 Q9NQS5 1/20 0.36

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
SCHEMBL4355640 1.00 KMT2A (0.46) KMT2AMAP2K1AURKAAURKBHDAC1
SCHEMBL4346794 0.86 KMT2A (0.45) KMT2AMAP2K1AURKAAURKBHDAC1
SCHEMBL4346791 0.86 KMT2A (0.45) KMT2AMAP2K1AURKAAURKBHDAC1
Hydrochloric Acid SCHEMBL4349093 0.85 AKT1 (0.45) KMT2AAURKAAURKBHDAC1HDAC6
Hydrochloric Acid SCHEMBL4349100 0.85 AKT1 (0.45) KMT2AAURKAAURKBHDAC1HDAC6
SCHEMBL4358927 0.85 AURKA (0.53) KMT2AMAP2K1AURKAAURKBHDAC1
SCHEMBL4358930 0.85 AURKA (0.53) KMT2AMAP2K1AURKAAURKBHDAC1
SCHEMBL4348496 0.84 KMT2A (0.41) KMT2AMAP2K1HDAC1HDAC6MTNR1A
SCHEMBL4348487 0.84 KMT2A (0.41) KMT2AMAP2K1HDAC1HDAC6MTNR1A
SCHEMBL4513050 0.82 AKT1 (0.56) KMT2AAURKBAKT1GSK3BCDK9

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