SCHEMBL8285255

SCHEMBL8285255

O=c1cc(Nc2ccccc2)n(-c2ccccc2)c2nc(COc3cccnc3)ccc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.40
GRM5 P41594 3/20 0.39
VCP P55072 1/20 0.39
CYP1A2 P05177 4/20 0.37
CYP3A4 P08684 4/20 0.37
MEN1 O00255 3/20 0.37
ALDH1A1 P00352 3/20 0.37
KMT2A Q03164 3/20 0.37
CYP2C9 P11712 3/20 0.37
TSHR P16473 3/20 0.37
USP2 O75604 2/20 0.37
CYP2C19 P33261 2/20 0.37
CLK4 Q9HAZ1 1/20 0.37
CDK4 P11802 1/20 0.37
CCND1 P24385 1/20 0.37
CCND2 P30279 1/20 0.37
CCND3 P30281 1/20 0.37
ADORA2A P29274 1/20 0.36
ADORA1 P30542 1/20 0.36
PDE11A Q9HCR9 1/20 0.36

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
SCHEMBL8285246 0.91 PDE11A (0.39) MAPTGRM5CYP1A2CYP3A4MEN1
SCHEMBL8285247 0.89 PDE11A (0.37) MAPTGRM5CYP1A2CYP3A4MEN1
SCHEMBL8287502 0.84 GRM5 (0.39) MAPTGRM5VCPCYP1A2CYP3A4
SCHEMBL8285259 0.83 PDE11A (0.37) GRM5ALDH1A1CDK4CCND1CCND2
SCHEMBL8287865 0.78 FEN1 (0.43) MAPTALDH1A1TSHRCDK4CCND1
SCHEMBL8287874 0.76 PDE11A (0.40) MAPTMEN1ALDH1A1KMT2ACDK4
SCHEMBL8287193 0.75 MAPT (0.40) MAPTGRM5VCPCYP1A2CYP3A4
SCHEMBL8287877 0.75 PDE11A (0.39) MAPTALDH1A1USP2CDK4CCND1
SCHEMBL8286453 0.75 GSK3B (0.35) GRM5CYP1A2CYP3A4MEN1ALDH1A1
SCHEMBL8287866 0.75 CYP3A4 (0.39) MAPTCYP1A2CYP3A4MEN1ALDH1A1

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