SCHEMBL7656458

SCHEMBL7656458

COc1ccc2c(c1)c(-c1nc3cc4[nH]c(OC(C)=O)nc4cc3[nH]c1=O)cn2CCCN

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 2/20 0.40
PDE4D Q08499 2/20 0.40
GSK3B P49841 9/20 0.37
QPCT Q16769 7/20 0.37
PRKD1 Q15139 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
SYK P43405 4/20 0.36
FLT3 P36888 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35
RAB9A P51151 1/20 0.35
HSD17B10 Q99714 1/20 0.35
FCER2 P06734 1/20 0.35
KDR P35968 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC6 Q9UBN7 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
SCHEMBL7662871 0.90 CAMK2D (0.40) GSK3BQPCT
SCHEMBL7657901 0.89 CHEK1 (0.37) PDE4BPDE4DKDR
SCHEMBL7850355 0.88 CAMK2D (0.44) GSK3BKDR
Acetic Acid SCHEMBL7656447 0.88 PDE4B (0.41) PDE4BPDE4DGSK3BQPCTPRKD1
Acetic Acid SCHEMBL7663779 0.87 PDE4B (0.42) PDE4BPDE4DGSK3BQPCTPRKD1
Acetic Acid SCHEMBL7658926 0.87 PDE4B (0.45) PDE4BPDE4DGSK3BQPCTPRKD1
Acetic Acid SCHEMBL7661608 0.86 PDE4B (0.39) PDE4BPDE4DGSK3BQPCTPRKD1
SCHEMBL7661618 0.85 PDE4B (0.38) PDE4BPDE4DGSK3BQPCTPRKD1
Acetic Acid SCHEMBL7664639 0.85 PDE4B (0.39) PDE4BPDE4DGSK3BQPCTPRKD1
SCHEMBL7662299 0.85 KDM4E (0.35) PDE4BPDE4DGSK3BQPCTTDP1

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