SCHEMBL8287487

SCHEMBL8287487

Cc1nc2c(cc1NCC(=O)O)c(=O)cc(Nc1ccccc1)n2-c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE11A Q9HCR9 1/20 0.38
GAA P10253 3/20 0.37
HPGD P15428 1/20 0.37
MAPK1 P28482 1/20 0.37
MAT2A P31153 2/20 0.37
GFER P55789 1/20 0.36
KDM4E B2RXH2 2/20 0.36
HTT P42858 1/20 0.36
OPRK1 P41145 1/20 0.36
CSF1R P07333 1/20 0.36
MAPT P10636 2/20 0.34
NTRK1 P04629 1/20 0.34
FABP4 P15090 1/20 0.34
ALDH1A2 O94788 1/20 0.34
ALDH1A1 P00352 1/20 0.34
ALDH1A3 P47895 1/20 0.34
CDK1 P06493 1/20 0.33
CCNB1 P14635 1/20 0.33
CCNE1 P24864 1/20 0.33
CDK2 P24941 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
SCHEMBL8287436 0.92 PDE11A (0.37) PDE11AGAAHPGDMAPK1MAT2A
SCHEMBL8287555 0.91 KDM4E (0.36) PDE11AGAAHPGDMAPK1MAT2A
SCHEMBL8362883 0.91 OPRK1 (0.39) PDE11AGAAHPGDMAPK1MAT2A
SCHEMBL8287429 0.90 MAT2A (0.46) PDE11AGAAHPGDMAPK1MAT2A
SCHEMBL8286429 0.88 MAT2A (0.39) PDE11AGAAHPGDMAPK1MAT2A
SCHEMBL8286432 0.87 KMT2A (0.39) PDE11AHPGDKDM4EMAPTALDH1A1
SCHEMBL8287451 0.87 PDE11A (0.42) PDE11AGAAHPGDMAPK1MAT2A
SCHEMBL8287426 0.87 CYP3A4 (0.42) PDE11AMAPK1MAT2AKDM4EHTT
SCHEMBL8287433 0.85 RAB9A (0.38) PDE11AGAAHPGDMAPK1KDM4E
SCHEMBL8286435 0.83 GAA (0.38) PDE11AGAAMAPK1KDM4EHTT

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