SCHEMBL7663240

SCHEMBL7663240

CC(=O)On1cnc2cc3[nH]c(=O)c(-c4cn(CCCN)c5ccc(Br)cc45)nc3cc21

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CAMK2D Q13557 3/20 0.38
DYRK1A Q13627 1/20 0.35
GSK3B P49841 14/20 0.34
QPCT Q16769 12/20 0.34
MEN1 O00255 1/20 0.34
MAPT P10636 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34
IDH1 O75874 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
SCHEMBL7661618 0.91 PDE4B (0.38) GSK3BQPCTIDH1
SCHEMBL7653994 0.91 CAMK2D (0.43) CAMK2DGSK3B
SCHEMBL7652581 0.88 CAMK2D (0.41) CAMK2DGSK3B
SCHEMBL7662836 0.87 GSK3B (0.32) GSK3BQPCT
SCHEMBL7661596 0.87 IGF1R (0.35) CAMK2DMAPT
SCHEMBL7658179 0.86 CAMK2D (0.33) CAMK2DMAPT
SCHEMBL7662871 0.85 CAMK2D (0.40) CAMK2DDYRK1AGSK3BQPCTMEN1
SCHEMBL7664757 0.85 CAMK2D (0.38) CAMK2DDYRK1AGSK3BQPCTMEN1
SCHEMBL7657255 0.84 MAPT (0.34) CAMK2DGSK3BQPCTMEN1MAPT
SCHEMBL7654501 0.84 MEN1 (0.32) CAMK2DGSK3BMEN1KMT2A

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