SCHEMBL8516682

SCHEMBL8516682

CCc1cccc2c(-c3nc4ncccc4n(OC(C)=O)c3=O)cn(CCCN)c12

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 4/20 0.38
CAMK2D Q13557 10/20 0.35
PRKCB P05771 3/20 0.35
PIM1 P11309 1/20 0.33
CNR2 P34972 3/20 0.32
PRKCA P17252 1/20 0.31
IDH1 O75874 1/20 0.31
USP2 O75604 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
CLK4 Q9HAZ1 1/20 0.31
CNR1 P21554 1/20 0.31

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
SCHEMBL7656323 0.85 CAMK2D (0.36) GSK3BCAMK2DPRKCBPIM1USP2
SCHEMBL7659483 0.84 CAMK2D (0.39) GSK3BCAMK2DPIM1CNR2USP2
SCHEMBL8368712 0.84 CAMK2D (0.33) GSK3BCAMK2DPIM1USP2ALDH1A1
SCHEMBL8366859 0.83 CAMK2D (0.33) GSK3BCAMK2DPIM1USP2ALDH1A1
SCHEMBL8368564 0.83 CAMK2D (0.36) GSK3BCAMK2DUSP2ALDH1A1CYP1A2
SCHEMBL7664679 0.81 CAMK2D (0.32) CAMK2D
SCHEMBL8365231 0.80 CNR2 (0.37) CAMK2DCNR2
SCHEMBL8516363 0.80 MAPT (0.36) CNR2ALDH1A1
SCHEMBL8516997 0.79 ASH1L (0.37) GSK3BCAMK2D
Acetic Acid SCHEMBL8516677 0.78 GSK3B (0.41) GSK3BCAMK2DPRKCBPRKCAALDH1A1

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