SCHEMBL8285335

SCHEMBL8285335

O=c1cc(Nc2ccccc2)n(-c2ccccc2)c2cc(OCC(F)F)ncc12

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAT2A P31153 5/20 0.37
PDE11A Q9HCR9 1/20 0.35
GSK3B P49841 3/20 0.34
CDK4 P11802 1/20 0.33
CCND1 P24385 1/20 0.33
CCND2 P30279 1/20 0.33
CCND3 P30281 1/20 0.33
REN P00797 2/20 0.32
BUB1 O43683 2/20 0.32
WEE1 P30291 1/20 0.31
CSF1R P07333 1/20 0.31
MAPK1 P28482 3/20 0.30
GAA P10253 1/20 0.30
HPGD P15428 1/20 0.30

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 0.86 GSK3B (0.38) MAT2APDE11AGSK3BCDK4CCND1
SCHEMBL8285316 0.85 PDE11A (0.40) MAT2APDE11AGSK3BCDK4CCND1
SCHEMBL8287459 0.85 GABRP (0.38) MAT2APDE11AGSK3BCDK4CCND1
SCHEMBL8287240 0.84 HTT (0.41) MAT2APDE11AGSK3BCDK4CCND1
SCHEMBL8287576 0.84 GSK3B (0.39) MAT2APDE11AGSK3BCDK4CCND1
SCHEMBL8285333 0.83 GSK3B (0.36) PDE11AGSK3BCDK4CCND1CCND2
SCHEMBL8287482 0.83 GSK3B (0.40) PDE11AGSK3BCDK4CCND1CCND2
SCHEMBL8287490 0.83 CDK4 (0.38) PDE11AGSK3BCDK4CCND1CCND2
SCHEMBL8285332 0.82 GABRG2 (0.35) PDE11AGSK3BCDK4CCND1CCND2
SCHEMBL8285329 0.82 GSK3B (0.40) MAT2APDE11AGSK3BCDK4CCND1

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