SCHEMBL7664757

SCHEMBL7664757

CC(=O)On1ncc2cc3[nH]c(=O)c(-c4cn(CCCN)c5ccc(Br)cc45)nc3cc21

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CAMK2D Q13557 4/20 0.38
GSK3B P49841 14/20 0.34
QPCT Q16769 13/20 0.34
DYRK1A Q13627 1/20 0.34
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 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
SCHEMBL7664653 0.91 PDE4B (0.38) GSK3BQPCT
SCHEMBL7657220 0.91 CAMK2D (0.42) CAMK2DGSK3B
SCHEMBL7658038 0.88 GSK3B (0.33) GSK3BQPCT
SCHEMBL7655905 0.86 EGLN1 (0.39) CAMK2D
SCHEMBL7660686 0.86 CAMK2D (0.33) CAMK2DGSK3B
SCHEMBL7663240 0.85 CAMK2D (0.38) CAMK2DGSK3BQPCTDYRK1AMEN1
SCHEMBL7654047 0.84 ASH1L (0.35) CAMK2DGSK3BQPCTMAPT
SCHEMBL7661970 0.84 CAMK2D (0.32) CAMK2DGSK3BMEN1KMT2A
SCHEMBL7662871 0.83 CAMK2D (0.40) CAMK2DGSK3BQPCTDYRK1AMEN1
SCHEMBL7654136 0.82 EGLN1 (0.39) CAMK2D

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 2 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 claimed
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