SCHEMBL8286173

SCHEMBL8286173

COC(=O)CNc1cncc2c(=O)cc(Nc3ccccc3)n(-c3ccccc3)c12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.36
ALDH1A1 P00352 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TSHR P16473 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
LMNA P02545 1/20 0.35
CSF1R P07333 1/20 0.35
CDK4 P11802 1/20 0.34
CCND1 P24385 1/20 0.34
CCND2 P30279 1/20 0.34
CCND3 P30281 1/20 0.34
POLB P06746 1/20 0.34
HPGD P15428 1/20 0.34
MAPK1 P28482 1/20 0.34
GFER P55789 2/20 0.34
MAPK13 O15264 1/20 0.34
MAPK12 P53778 1/20 0.34
MAPK11 Q15759 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
SCHEMBL8286178 0.90 GAA (0.36) GAAALDH1A1SMN1; SMN2CSF1RCDK4
SCHEMBL8286211 0.88 MAP3K8 (0.34) GAACSF1RCDK4CCND1CCND2
SCHEMBL8286182 0.87 MAT2A (0.46) GAAALDH1A1SMN1; SMN2CSF1RHPGD
SCHEMBL8286174 0.84 BRAF (0.39) GAAALDH1A1TSHRMEN1KMT2A
SCHEMBL8287246 0.84 GAA (0.39) GAAALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL8287276 0.83 MAT2A (0.40) GAASMN1; SMN2HPGDMAPK1KDM4E
SCHEMBL8287263 0.83 TSHR (0.40) GAAALDH1A1L3MBTL1TSHRMEN1
SCHEMBL8286184 0.83 ALDH1A1 (0.39) GAAALDH1A1KMT2APOLBMAPT
SCHEMBL8285367 0.82 KCNJ6 (0.37) GAAALDH1A1TSHRSMN1; SMN2HPGD
SCHEMBL8287280 0.82 RAB9A (0.43) GAAALDH1A1TSHRMEN1KMT2A

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