SCHEMBL8516957

SCHEMBL8516957

CC(=O)On1c(=O)c(-c2cn(CCCN)c3cc4c(cc23)OCO4)nc2ccc(-c3ccccc3)cc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CAMK2D Q13557 5/20 0.37
ICMT O60725 2/20 0.35
SIRT2 Q8IXJ6 1/20 0.35
GSK3B P49841 1/20 0.34
QPCT Q16769 1/20 0.34
CA12 O43570 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
LTB4R Q15722 3/20 0.33
ALDH1A1 P00352 2/20 0.33
CYP1A2 P05177 2/20 0.33
CYP2D6 P10635 2/20 0.33
EDNRB P24530 1/20 0.33
TP53 P04637 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C19 P33261 1/20 0.33
CLK4 Q9HAZ1 1/20 0.33
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
TYK2 P29597 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
SCHEMBL7659720 0.89 CAMK2D (0.36) CAMK2DGSK3BQPCTALDH1A1CYP1A2
SCHEMBL8365260 0.88 CAMK2D (0.41) CAMK2DICMTGSK3BQPCTRAB9A
SCHEMBL8516843 0.88 CAMK2D (0.49) CAMK2DGSK3B
SCHEMBL8516993 0.87 CAMK2D (0.37) CAMK2DGSK3BALDH1A1CYP1A2CYP2D6
SCHEMBL8362797 0.87 PDE4B (0.43) CAMK2DICMTGSK3BQPCTCA9
SCHEMBL8516330 0.87 TP53 (0.42) ICMTEDNRBTP53
SCHEMBL8516327 0.85 CAMK2D (0.46) CAMK2DGSK3B
SCHEMBL8362233 0.84 CAMK2D (0.38) CAMK2DICMTLTB4R
SCHEMBL7853098 0.84 KDM4E (0.33) GSK3BQPCTALDH1A1CYP1A2CYP2D6
SCHEMBL7654113 0.84 KDM4E (0.33) GSK3BQPCTALDH1A1CYP1A2CYP2D6

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
WO-1999046260-A1 NEW COMPOUNDS ASTRAZENECA AB (SE) 1999-09-16 WO claimed
WO-1999046260-A1 NEW COMPOUNDS ASTRAZENECA AB (SE) 1999-09-16 WO disclosed