SCHEMBL8287155

SCHEMBL8287155

O=c1cc(Nc2ccccc2)n(-c2ccccc2)c2nc(OCc3ccccc3)cc(C(F)(F)F)c12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE11A Q9HCR9 1/20 0.59
HCRTR1 O43613 11/20 0.36
HCRTR2 O43614 10/20 0.36
WEE1 P30291 1/20 0.35
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34
ADORA3 P0DMS8 1/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
HSD17B10 Q99714 1/20 0.34
ULK1 O75385 1/20 0.34
AR P10275 1/20 0.33
CDK4 P11802 1/20 0.33
CCND1 P24385 1/20 0.33
CCND2 P30279 1/20 0.33
CCND3 P30281 1/20 0.33
ALDH1A2 O94788 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
SCHEMBL8286349 0.90 PDE11A (0.61) PDE11AHCRTR1HCRTR2WEE1MEN1
SCHEMBL8287101 0.89 PDE11A (0.60) PDE11AHCRTR1HCRTR2WEE1ALDH1A1
SCHEMBL8287171 0.89 PDE11A (0.56) PDE11AHCRTR1HCRTR2WEE1LMNA
SCHEMBL8287215 0.88 PDE11A (0.61) PDE11AHCRTR1HCRTR2
SCHEMBL8286350 0.88 PDE11A (0.58) PDE11AHCRTR1HCRTR2WEE1MEN1
SCHEMBL8286353 0.87 PDE11A (0.57) PDE11AHCRTR1HCRTR2WEE1MEN1
SCHEMBL8286351 0.86 PDE11A (0.59) PDE11AHCRTR1HCRTR2WEE1MEN1
SCHEMBL8287224 0.85 PDE11A (0.58) PDE11AHCRTR1HCRTR2
SCHEMBL8287148 0.85 PDE11A (0.62) PDE11AWEE1MEN1LMNAMAPT
SCHEMBL8287174 0.84 PDE11A (0.58) PDE11AHCRTR1HCRTR2WEE1MEN1

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-2005091857-A2 1,6-NAPHTHYRIDINE AND 1,8-NAPHTHYRIDINE DERIVATIVES AND THEIR USE TO TREAT DIABETES AND RELATED DISORDERS BAYER PHARMACEUTICALS CORPORATION (US) 2005-10-06 WO disclosed