SCHEMBL14048870

SCHEMBL14048870

CCOCCNC(=O)c1cnn2cc(Cc3ccc(Br)cc3)cnc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 6/20 0.46
HPGD P15428 4/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
ALDH1A1 P00352 2/20 0.39
LMNA P02545 1/20 0.39
HSD17B10 Q99714 1/20 0.39
HTT P42858 1/20 0.39
PDPK1 O15530 1/20 0.38
PRKCZ Q05513 1/20 0.38
MARK2 Q7KZI7 1/20 0.38
KDM4E B2RXH2 2/20 0.37
GLA P06280 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
POLB P06746 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
PDE10A Q9Y233 1/20 0.36
KLKB1 P03952 1/20 0.36
IRAK4 Q9NWZ3 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL14033609 0.91 PDE2A (0.50) PDE2AHPGDNPC1RAB9AALDH1A1
SCHEMBL4439670 0.88 PDE2A (0.41) PDE2ANPC1ALDH1A1PDPK1PRKCZ
SCHEMBL4433594 0.87 PDE2A (0.41) PDE2ALMNAPDPK1PRKCZMARK2
SCHEMBL14033877 0.86 PDE2A (0.40) PDE2APDPK1PRKCZMARK2PDE10A
SCHEMBL14033866 0.86 PDE2A (0.45) PDE2APDPK1PRKCZMARK2PDE10A
SCHEMBL14033009 0.85 PDE2A (0.44) PDE2AHPGDHSD17B10PDPK1PRKCZ
SCHEMBL14033013 0.82 PDE2A (0.42) PDE2AHPGDRAB9AALDH1A1LMNA
SCHEMBL14033681 0.78 PDE2A (0.39) PDE2AALDH1A1HSD17B10PDPK1PRKCZ
SCHEMBL14033688 0.73 PDE2A (0.46) PDE2AHPGDALDH1A1LMNAPDPK1
SCHEMBL4437980 0.72 PDE2A (0.38) PDE2AHPGDNPC1RAB9AALDH1A1

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
WO-2008116898-A1 PYRAZOLO [1,5-A]PYRIMIDINES AS INHIBITORS OF STEAROYL-COA DESATURASE BIOVITRUM AB (PUBL) (SE) 2008-10-02 WO disclosed