SCHEMBL7654501

SCHEMBL7654501

CCc1cccc2c(-c3nc4cc5c(cc4[nH]c3=O)ncn5OC(C)=O)cn(CCCN)c12

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
CAMK2D Q13557 4/20 0.32
GSK3B P49841 1/20 0.32

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
SCHEMBL7653994 0.89 CAMK2D (0.43) CAMK2DGSK3B
SCHEMBL7652581 0.86 CAMK2D (0.41) CAMK2DGSK3B
SCHEMBL7661970 0.85 CAMK2D (0.32) MEN1KMT2ACAMK2DGSK3B
SCHEMBL7661638 0.85 CAMK2D (0.33) MEN1KMT2ACAMK2DGSK3B
SCHEMBL7663240 0.84 CAMK2D (0.38) MEN1KMT2ACAMK2DGSK3B
Acetic Acid SCHEMBL7656316 0.84 CAMK2D (0.37) MEN1KMT2ACAMK2DGSK3B
SCHEMBL7662836 0.84 GSK3B (0.32) GSK3B
Acetic Acid SCHEMBL7661625 0.83 CAMK2D (0.34) MEN1KMT2ACAMK2DGSK3B
SCHEMBL7661618 0.83 PDE4B (0.38) GSK3B
Acetic Acid SCHEMBL7654495 0.82 GSK3B (0.34) MEN1KMT2ACAMK2DGSK3B

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