SCHEMBL8285164

SCHEMBL8285164

CCS(=O)(=O)N1CCN(c2cc(C)c3c(=O)cc(Nc4ccccc4)n(-c4ccccc4)c3n2)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE11A Q9HCR9 1/20 0.55
MAPT P10636 3/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 1/20 0.39
KMT2A Q03164 3/20 0.37
PIK3CD O00329 1/20 0.36
PIK3CA P42336 1/20 0.36
PIK3CB P42338 1/20 0.36
MAPK1 P28482 2/20 0.36
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
TSHR P16473 1/20 0.35
HSD17B10 Q99714 1/20 0.35
PRMT5 O14744 1/20 0.34
CDK4 P11802 1/20 0.34
CCND1 P24385 1/20 0.34
CCND2 P30279 1/20 0.34

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
SCHEMBL8285176 0.93 PDE11A (0.52) PDE11AMAPTALDH1A1KMT2ALMNA
SCHEMBL5871831 0.93 PDE11A (0.57) PDE11AMAPTALDH1A1KMT2APIK3CD
SCHEMBL8286050 0.90 PDE11A (0.54) PDE11AMAPTKMT2AMAPK1MEN1
SCHEMBL8286344 0.89 PDE11A (0.64) PDE11AMAPTKDM4EALDH1A1KMT2A
SCHEMBL8285165 0.89 PDE11A (0.54) PDE11AMAPTKMT2APIK3CDPIK3CA
SCHEMBL8285166 0.88 PDE11A (0.60) PDE11AMAPTKDM4EALDH1A1KMT2A
SCHEMBL8286346 0.87 PDE11A (0.61) PDE11AMAPTKDM4EALDH1A1KMT2A
SCHEMBL8286342 0.86 PDE11A (0.60) PDE11AMAPTKDM4EALDH1A1KMT2A
SCHEMBL5872100 0.85 PDE11A (0.54) PDE11AMAPTKDM4EALDH1A1KMT2A
SCHEMBL5872109 0.85 PDE11A (0.75) PDE11AMAPTKDM4EALDH1A1PIK3CD

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