SCHEMBL4354582

SCHEMBL4354582

O=C(/C=C/c1c[nH]c2ncccc12)NC(c1ccccc1)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.50
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
HTT P42858 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
GSK3B P49841 3/20 0.42
CDC7 O00311 2/20 0.42
DBF4 Q9UBU7 1/20 0.42
AKT1 P31749 2/20 0.41
CHEK1 O14757 1/20 0.41
CAMKK2 Q96RR4 1/20 0.41
MAP2K1 Q02750 1/20 0.40
HDAC1 Q13547 2/20 0.40
HDAC6 Q9UBN7 1/20 0.40
CCNT1 O60563 1/20 0.40
CDK9 P50750 1/20 0.40
HASPIN Q8TF76 1/20 0.40

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
SCHEMBL4343997 1.00 KMT2A (0.50) KMT2AALDH1A1LMNAHTTNPSR1
SCHEMBL4343650 0.88 TDP1 (0.54) KMT2ALMNAHTTGSK3BCDC7
SCHEMBL4343641 0.88 TDP1 (0.54) KMT2ALMNAHTTGSK3BCDC7
SCHEMBL4348485 0.86 KMT2A (0.46) KMT2AALDH1A1GSK3BCDC7AKT1
SCHEMBL4348477 0.86 KMT2A (0.46) KMT2AALDH1A1GSK3BCDC7AKT1
SCHEMBL4352472 0.85 KMT2A (0.45) KMT2AGSK3BCDC7AKT1CHEK1
SCHEMBL4513050 0.85 AKT1 (0.56) KMT2AGSK3BAKT1CHEK1CDK9
SCHEMBL4513055 0.85 AKT1 (0.56) KMT2AGSK3BAKT1CHEK1CDK9
SCHEMBL4352465 0.85 KMT2A (0.45) KMT2AGSK3BCDC7AKT1CHEK1
SCHEMBL4513046 0.85 AKT1 (0.56) KMT2AGSK3BAKT1CHEK1CDK9

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