SCHEMBL7664653

SCHEMBL7664653

COc1ccc2c(c1)c(-c1nc3cc4c(cnn4OC(C)=O)cc3[nH]c1=O)cn2CCCN

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 2/20 0.38
PDE4D Q08499 2/20 0.38
GSK3B P49841 10/20 0.37
QPCT Q16769 8/20 0.37
EGLN1 Q9GZT9 1/20 0.36
PRKD1 Q15139 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
FLT3 P36888 1/20 0.35
KDR P35968 1/20 0.34
SYK P43405 4/20 0.34
HTR6 P50406 1/20 0.34
FCER2 P06734 1/20 0.33

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
SCHEMBL7664757 0.91 CAMK2D (0.38) GSK3BQPCT
SCHEMBL7655905 0.90 EGLN1 (0.39) EGLN1KDR
SCHEMBL7657220 0.89 CAMK2D (0.42) GSK3BKDR
SCHEMBL7658038 0.87 GSK3B (0.33) GSK3BQPCTTDP1
Acetic Acid SCHEMBL7658926 0.85 PDE4B (0.45) PDE4BPDE4DGSK3BQPCTPRKD1
SCHEMBL7661618 0.85 PDE4B (0.38) PDE4BPDE4DGSK3BQPCTPRKD1
SCHEMBL7660686 0.85 CAMK2D (0.33) GSK3BKDR
SCHEMBL7654136 0.84 EGLN1 (0.39) EGLN1
SCHEMBL7656458 0.84 PDE4B (0.40) PDE4BPDE4DGSK3BQPCTPRKD1
Acetic Acid SCHEMBL7664639 0.83 PDE4B (0.39) PDE4BPDE4DGSK3BQPCTEGLN1

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 1 patent. 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