SCHEMBL8286162

SCHEMBL8286162

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

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 3/20 0.37
S1PR1 P21453 1/20 0.36
CDK4 P11802 1/20 0.36
CCND1 P24385 1/20 0.36
CCND2 P30279 1/20 0.36
CCND3 P30281 1/20 0.36
PDE11A Q9HCR9 1/20 0.35
GAA P10253 3/20 0.33
HPGD P15428 1/20 0.33
MAPK1 P28482 1/20 0.33
CSF1R P07333 1/20 0.33
EGFR P00533 2/20 0.33
MAT2A P31153 2/20 0.33
ALDH1A1 P00352 2/20 0.33
P2RX7 Q99572 1/20 0.33
EGLN1 Q9GZT9 1/20 0.32
MAPT P10636 1/20 0.32
BTK Q06187 1/20 0.32

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
SCHEMBL8287617 0.88 GSK3B (0.37) GSK3BCDK4CCND1CCND2CCND3
SCHEMBL8286150 0.88 GSK3B (0.39) GSK3BCDK4CCND1CCND2CCND3
SCHEMBL8287945 0.88 S1PR1 (0.39) GSK3BS1PR1CDK4CCND1CCND2
SCHEMBL8287455 0.87 MAT2A (0.36) GSK3BCDK4CCND1CCND2CCND3
SCHEMBL8286148 0.87 GSK3B (0.36) GSK3BCDK4CCND1CCND2CCND3
SCHEMBL8287917 0.86 GSK3B (0.36) GSK3BS1PR1CDK4CCND1CCND2
SCHEMBL8287498 0.85 GSK3B (0.37) GSK3BCDK4CCND1CCND2CCND3
SCHEMBL8286453 0.85 GSK3B (0.35) GSK3BCDK4CCND1CCND2CCND3
SCHEMBL8287939 0.85 MIF (0.41) GAAHPGDALDH1A1MAPT
SCHEMBL8286574 0.84 MAT2A (0.39) GSK3BCDK4CCND1CCND2CCND3

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