SCHEMBL7657833

SCHEMBL7657833

CC(=O)On1c(=O)c(-c2cn(CCCN)c3ccc(OCc4ccccc4)cc23)nc2cc3nc(C)c(C)nc3cc21

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.36
IGF1R P08069 2/20 0.36
PDE4B Q07343 1/20 0.36
PDE4D Q08499 1/20 0.36
EGFR P00533 1/20 0.36
FLT4 P35916 1/20 0.36
KDR P35968 1/20 0.36
SRD5A2 P31213 1/20 0.36
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
HSP90AA1 P07900 1/20 0.35
LTB4R Q15722 4/20 0.35
LTB4R2 Q9NPC1 3/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
AKR1A1 P14550 1/20 0.34
AKR1B1 P15121 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
SCHEMBL7851518 0.95 PPARG (0.36) MAOBIGF1RSRD5A2MEN1KMT2A
SCHEMBL7658242 0.93 MAOB (0.38) MAOBIGF1RPDE4BPDE4DEGFR
SCHEMBL7663787 0.89 PDE4B (0.42) PDE4BPDE4D
SCHEMBL7664668 0.88 MAOB (0.40) MAOBIGF1REGFRFLT4KDR
SCHEMBL7657954 0.88 MAOB (0.38) MAOBIGF1REGFRFLT4KDR
SCHEMBL8362233 0.88 CAMK2D (0.38) MAOBIGF1REGFRFLT4KDR
SCHEMBL7656438 0.88 CAMK2D (0.42) KDR
SCHEMBL7654026 0.87 CNR1 (0.38) MAOBIGF1RSRD5A2LTB4RLTB4R2
SCHEMBL7657867 0.87 BDKRB2 (0.34) PDE4BPDE4DKDR
SCHEMBL7841757 0.86 DYRK1A (0.38) PDE4BPDE4DMEN1KMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6458792-B1 MEDICAMENT FOR THE TREATMENT OF INFLAMMATORY, IMMUNOLOGICAL, BRONCHOPULMONARY, CARDIOVASCULAR, ONCOLOGICAL OR CNS-DEGENERATIVE DISORDERS. ASTRAZENECA AB (SE) 2002-10-01 US disclosed
EP-1071683-A1 NEW COMPOUNDS AstraZeneca AB (SE) 2001-01-31 EP disclosed
WO-1999046264-A1 NEW COMPOUNDS ASTRAZENECA AB (SE) 1999-09-16 WO disclosed