SCHEMBL8286399

SCHEMBL8286399

Cc1cc(C(=O)NC(C)(C)C)nc2c1c(=O)cc(Nc1ccccc1)n2-c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE11A Q9HCR9 1/20 0.46
RIPK1 Q13546 1/20 0.43
SYK P43405 1/20 0.37
POLB P06746 2/20 0.36
GSK3B P49841 1/20 0.36
TP53 P04637 1/20 0.35
ANO1 Q5XXA6 1/20 0.35
HPGD P15428 3/20 0.35
KDM4E B2RXH2 1/20 0.35
HSD17B10 Q99714 1/20 0.35
GAA P10253 3/20 0.34
MAPK1 P28482 1/20 0.34
GFER P55789 1/20 0.34
MAPT P10636 1/20 0.34
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
NPY5R Q15761 1/20 0.34
CSF1R P07333 1/20 0.34
CYP2C9 P11712 1/20 0.33

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
SCHEMBL8287393 0.89 PDE11A (0.46) PDE11ARIPK1POLBTP53HPGD
SCHEMBL5872175 0.88 PDE11A (0.47) PDE11APOLBGSK3BHPGDKDM4E
SCHEMBL5871541 0.87 PDE11A (0.46) PDE11APOLBGSK3BTP53HPGD
SCHEMBL8287397 0.86 PDE11A (0.46) PDE11APOLBGSK3BHPGDKDM4E
SCHEMBL8286396 0.86 PDE11A (0.44) PDE11APOLBHPGDKDM4EHSD17B10
SCHEMBL8285169 0.85 PDE11A (0.45) PDE11APOLBGSK3BTP53HPGD
SCHEMBL8287518 0.84 PDE11A (0.44) PDE11APOLBGSK3BHPGDKDM4E
SCHEMBL8285223 0.84 PDE11A (0.44) PDE11APOLBGSK3BHPGDKDM4E
SCHEMBL8287388 0.84 MAPT (0.48) PDE11ARIPK1HPGDKDM4EGAA
SCHEMBL8286397 0.84 KDM4E (0.49) PDE11ARIPK1HPGDKDM4EHSD17B10

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