SCHEMBL4350722

SCHEMBL4350722

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.46
AURKB Q96GD4 1/20 0.46
KMT2A Q03164 1/20 0.40
AXL P30530 1/20 0.38
HDAC1 Q13547 2/20 0.37
HDAC6 Q9UBN7 1/20 0.37
MTNR1A P48039 1/20 0.36
PIM1 P11309 2/20 0.36
PIM2 Q9P1W9 2/20 0.36
CDC7 O00311 2/20 0.36
PIM3 Q86V86 1/20 0.35
TP53 P04637 1/20 0.35
ALOX15 P16050 1/20 0.35
DRD2 P14416 1/20 0.35
DRD4 P21917 1/20 0.35
DRD3 P35462 1/20 0.35
GSK3B P49841 2/20 0.35
MAP2K1 Q02750 1/20 0.35
CCNT1 O60563 3/20 0.35
CDK9 P50750 3/20 0.35

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
SCHEMBL4350717 1.00 AURKA (0.46) AURKAAURKBKMT2AAXLHDAC1
SCHEMBL4348496 0.87 KMT2A (0.41) KMT2AAXLHDAC1HDAC6MTNR1A
SCHEMBL4348487 0.87 KMT2A (0.41) KMT2AAXLHDAC1HDAC6MTNR1A
SCHEMBL4350005 0.86 GSK3B (0.47) KMT2AHDAC1HDAC6TP53DRD2
SCHEMBL4355310 0.86 GSK3B (0.47) KMT2AHDAC1HDAC6TP53DRD2
SCHEMBL4349997 0.86 GSK3B (0.47) KMT2AHDAC1HDAC6TP53DRD2
SCHEMBL4355315 0.86 GSK3B (0.47) KMT2AHDAC1HDAC6TP53DRD2
SCHEMBL4351416 0.85 OPRL1 (0.44) KMT2AAXLHDAC1HDAC6CDC7
SCHEMBL4353056 0.85 KDM4E (0.40) KMT2AHDAC1HDAC6TP53DRD4
SCHEMBL4351409 0.85 OPRL1 (0.44) KMT2AAXLHDAC1HDAC6CDC7

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