SCHEMBL4347015

SCHEMBL4347015

CC(C)(C)[C@@H](CN1CCCC1)NC(=O)C=Cc1c[nH]c2ncccc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.40
AXL P30530 1/20 0.38
HSD11B1 P28845 3/20 0.38
HDAC1 Q13547 2/20 0.36
HDAC6 Q9UBN7 1/20 0.36
MAP2K1 Q02750 1/20 0.35
CDC7 O00311 3/20 0.35
PIM1 P11309 1/20 0.35
PIM2 Q9P1W9 1/20 0.35
MTNR1A P48039 1/20 0.35
CHEK1 O14757 1/20 0.35
MAPT P10636 3/20 0.35
TP53 P04637 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
DRD2 P14416 1/20 0.34
DRD4 P21917 1/20 0.34
DRD3 P35462 1/20 0.34
OPRM1 P35372 1/20 0.34
OPRK1 P41145 1/20 0.34
OPRL1 P41146 1/20 0.34

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
SCHEMBL4347010 1.00 KMT2A (0.40) KMT2AAXLHSD11B1HDAC1HDAC6
SCHEMBL4348496 0.88 KMT2A (0.41) KMT2AAXLHDAC1HDAC6MAP2K1
SCHEMBL4348487 0.88 KMT2A (0.41) KMT2AAXLHDAC1HDAC6MAP2K1
SCHEMBL4346791 0.84 KMT2A (0.45) KMT2AHDAC1HDAC6MAP2K1MTNR1A
SCHEMBL4346794 0.84 KMT2A (0.45) KMT2AHDAC1HDAC6MAP2K1MTNR1A
SCHEMBL4350722 0.84 AURKA (0.46) KMT2AAXLHDAC1HDAC6MAP2K1
SCHEMBL4350717 0.84 AURKA (0.46) KMT2AAXLHDAC1HDAC6MAP2K1
SCHEMBL4355953 0.83 DYRK1A (0.44) KMT2AAXLCDC7PIM1CHEK1
SCHEMBL4349063 0.83 DYRK1A (0.44) KMT2AAXLCDC7PIM1CHEK1
SCHEMBL4349068 0.83 DYRK1A (0.44) KMT2AAXLCDC7PIM1CHEK1

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