SCHEMBL4353050

SCHEMBL4353050

O=C(/C=C/c1c[nH]c2ncccc12)N[C@@H](COc1ccccc1)CN1CCCC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.40
CYP2D6 P10635 1/20 0.40
TSHR P16473 1/20 0.40
HIF1A Q16665 1/20 0.40
HDAC3 O15379 4/20 0.38
HDAC4 P56524 4/20 0.38
HDAC1 Q13547 4/20 0.38
HDAC7 Q8WUI4 4/20 0.38
HDAC2 Q92769 4/20 0.38
HDAC10 Q969S8 4/20 0.38
HDAC11 Q96DB2 4/20 0.38
HDAC8 Q9BY41 4/20 0.38
HDAC6 Q9UBN7 4/20 0.38
HDAC9 Q9UKV0 4/20 0.38
HDAC5 Q9UQL6 4/20 0.38
KMT2A Q03164 2/20 0.38
MAPK1 P28482 1/20 0.38
HSD11B1 P28845 1/20 0.38
MAPT P10636 3/20 0.37
TP53 P04637 2/20 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
SCHEMBL4353056 1.00 KDM4E (0.40) KDM4ECYP2D6TSHRHIF1AHDAC3
SCHEMBL4350005 0.88 GSK3B (0.47) HDAC1HDAC6KMT2AMAPTTP53
SCHEMBL4355315 0.88 GSK3B (0.47) HDAC1HDAC6KMT2AMAPTTP53
SCHEMBL4355310 0.88 GSK3B (0.47) HDAC1HDAC6KMT2AMAPTTP53
SCHEMBL4349997 0.88 GSK3B (0.47) HDAC1HDAC6KMT2AMAPTTP53
SCHEMBL4350430 0.85 KMT2A (0.42) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL4350437 0.85 KMT2A (0.42) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL4350717 0.85 AURKA (0.46) HDAC1HDAC6KMT2ATP53DRD4
SCHEMBL4350722 0.85 AURKA (0.46) HDAC1HDAC6KMT2ATP53DRD4
SCHEMBL4355953 0.84 DYRK1A (0.44) KMT2AMAPK1MAPTTP53DRD4

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