SCHEMBL4348485

SCHEMBL4348485

C=CC(NC(=O)C=Cc1c[nH]c2ncccc12)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.46
AKT1 P31749 2/20 0.41
GSK3B P49841 3/20 0.40
JAK3 P52333 1/20 0.39
CHEK1 O14757 1/20 0.39
CDC7 O00311 1/20 0.39
CAMKK2 Q96RR4 1/20 0.38
HDAC1 Q13547 2/20 0.38
HDAC6 Q9UBN7 1/20 0.38
MAP2K1 Q02750 1/20 0.38
CCNT1 O60563 1/20 0.38
CDK9 P50750 1/20 0.38
HASPIN Q8TF76 1/20 0.38
ADORA2A P29274 1/20 0.37
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
NFKB1 P19838 1/20 0.37

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
SCHEMBL4348477 1.00 KMT2A (0.46) KMT2AAKT1GSK3BJAK3CHEK1
SCHEMBL4343997 0.86 KMT2A (0.50) KMT2AAKT1GSK3BCHEK1CDC7
SCHEMBL4354582 0.86 KMT2A (0.50) KMT2AAKT1GSK3BCHEK1CDC7
SCHEMBL4343641 0.84 TDP1 (0.54) KMT2AGSK3BCDC7MAP2K1
SCHEMBL4343650 0.84 TDP1 (0.54) KMT2AGSK3BCDC7MAP2K1
SCHEMBL4513050 0.84 AKT1 (0.56) KMT2AAKT1GSK3BJAK3CHEK1
SCHEMBL4513046 0.84 AKT1 (0.56) KMT2AAKT1GSK3BJAK3CHEK1
SCHEMBL4513055 0.84 AKT1 (0.56) KMT2AAKT1GSK3BJAK3CHEK1
SCHEMBL4352465 0.82 KMT2A (0.45) KMT2AAKT1GSK3BJAK3CHEK1
SCHEMBL4352472 0.82 KMT2A (0.45) KMT2AAKT1GSK3BJAK3CHEK1

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 1 patent. 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