SCHEMBL8285203

SCHEMBL8285203

COCCNc1nc2c(c(C(C)=O)c1F)c(=O)cc(Nc1ccccc1)n2-c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE11A Q9HCR9 1/20 0.41
CFTR P13569 1/20 0.38
KCNH3 Q9ULD8 3/20 0.38
MAPT P10636 6/20 0.37
ALDH1A1 P00352 6/20 0.37
KDM4E B2RXH2 4/20 0.37
HPGD P15428 4/20 0.37
GLA P06280 3/20 0.37
LMNA P02545 3/20 0.37
GAA P10253 2/20 0.37
USP2 O75604 4/20 0.36
ALOX15 P16050 3/20 0.36
MAPK1 P28482 1/20 0.36
CSNK2A1 P68400 1/20 0.35
ADORA2A P29274 1/20 0.35
ADORA1 P30542 1/20 0.35
CASP7 P55210 3/20 0.35
ATM Q13315 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
HTT P42858 2/20 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
SCHEMBL8285178 0.80 KCNH3 (0.41) PDE11ACFTRKCNH3MAPTALDH1A1
SCHEMBL8285184 0.79 PDE11A (0.47) PDE11AMAPTALDH1A1KDM4ELMNA
SCHEMBL8285202 0.79 NCF1 (0.47) PDE11ACFTRKCNH3MAPTALDH1A1
SCHEMBL8287857 0.76 PDE11A (0.56) PDE11ACFTRKCNH3MAPTALDH1A1
SCHEMBL8286423 0.75 KCNH3 (0.42) PDE11ACFTRKCNH3MAPTALDH1A1
SCHEMBL8287127 0.75 PDE11A (0.59) PDE11ACFTRMAPTALDH1A1KDM4E
SCHEMBL8285209 0.75 PDE11A (0.43) PDE11AALDH1A1KDM4EHPGDGAA
SCHEMBL8285217 0.73 PDE11A (0.46) PDE11AMAPTALDH1A1KDM4ELMNA
SCHEMBL8286379 0.72 PDE11A (0.43) PDE11AALDH1A1KDM4EHPGDLMNA
SCHEMBL8285140 0.71 KCNH3 (0.44) PDE11ACFTRKCNH3MAPTALDH1A1

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-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
WO-2003027112-A1 1, 8-NAPHTHYRIDINE DERIVATIVES AS ANTIDIABETICS BAYER PHARMACEUTICALS CORPORATION (US) 2003-04-03 WO disclosed