SCHEMBL8287459

SCHEMBL8287459

O=c1cc(Nc2ccccc2)n(-c2ccccc2)c2cc(OCc3ccccc3)ncc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 1/20 0.38
GABRD O14764 1/20 0.38
GABRA1 P14867 1/20 0.38
GABRB1 P18505 1/20 0.38
GABRG2 P18507 1/20 0.38
GABRB3 P28472 1/20 0.38
GABRA5 P31644 1/20 0.38
GABRA3 P34903 1/20 0.38
GABRA2 P47869 1/20 0.38
GABRB2 P47870 1/20 0.38
GABRA4 P48169 1/20 0.38
GABRE P78334 1/20 0.38
GABRA6 Q16445 1/20 0.38
GABRG1 Q8N1C3 1/20 0.38
GABRG3 Q99928 1/20 0.38
GABRQ Q9UN88 1/20 0.38
MAT2A P31153 1/20 0.35
PKM P14618 2/20 0.35
GSK3B P49841 3/20 0.35
CDK4 P11802 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
SCHEMBL8285261 0.88 GSK3B (0.38) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL8287485 0.88 HTR2C (0.39) MAT2ANPC1RAB9AGRM5SMN1; SMN2
SCHEMBL8287240 0.86 HTT (0.41) MAT2APKMGSK3BCDK4CCND1
SCHEMBL8287576 0.85 GSK3B (0.39) MAT2AGSK3BCDK4CCND1CCND2
SCHEMBL8285335 0.85 MAT2A (0.37) MAT2AGSK3BCDK4CCND1CCND2
SCHEMBL8285316 0.85 PDE11A (0.40) MAT2AGSK3BCDK4CCND1CCND2
SCHEMBL8285333 0.85 GSK3B (0.36) GSK3BCDK4CCND1CCND2CCND3
SCHEMBL8287490 0.84 CDK4 (0.38) GSK3BCDK4CCND1CCND2CCND3
SCHEMBL8285332 0.84 GABRG2 (0.35) GABRG2GABRB3GABRA5GSK3BCDK4
SCHEMBL8285329 0.83 GSK3B (0.40) MAT2AGSK3BCDK4CCND1CCND2

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