SCHEMBL8285367

SCHEMBL8285367

CNC(=O)Nc1cncc2c(=O)cc(Nc3ccccc3)n(-c3ccccc3)c12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNJ6 P48051 2/20 0.37
KCNJ5 P48544 2/20 0.37
KCNJ3 P48549 2/20 0.37
ALDH1A1 P00352 1/20 0.37
RECQL P46063 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TSHR P16473 1/20 0.37
GAA P10253 2/20 0.36
HPGD P15428 1/20 0.36
MAPK1 P28482 1/20 0.36
MAPK13 O15264 4/20 0.35
MAPK12 P53778 4/20 0.35
MAPK11 Q15759 4/20 0.35
MAPK14 Q16539 4/20 0.35
GFER P55789 1/20 0.35
MAPT P10636 1/20 0.35
RAB9A P51151 1/20 0.35
NTRK1 P04629 2/20 0.35
RIPK1 Q13546 2/20 0.35
CYP2C9 P11712 1/20 0.35

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
SCHEMBL8286174 0.89 BRAF (0.39) ALDH1A1SMN1; SMN2TSHRGAAHPGD
SCHEMBL8287246 0.86 GAA (0.39) ALDH1A1RECQLSMN1; SMN2GAAHPGD
SCHEMBL8286178 0.84 GAA (0.36) ALDH1A1SMN1; SMN2GAAHPGDMAPK1
SCHEMBL8287590 0.84 CSF1R (0.35) KCNJ6KCNJ5KCNJ3TSHRGAA
SCHEMBL8286173 0.82 GAA (0.36) ALDH1A1SMN1; SMN2TSHRGAAHPGD
SCHEMBL8286211 0.82 MAP3K8 (0.34) GAAHPGDMAPK1GFERMAPT
SCHEMBL8286182 0.82 MAT2A (0.46) ALDH1A1SMN1; SMN2GAAHPGDMAPK1
SCHEMBL8287991 0.81 GAA (0.39) ALDH1A1SMN1; SMN2GAAHPGDMAPK1
SCHEMBL8287214 0.81 GAA (0.44) KCNJ6KCNJ5KCNJ3ALDH1A1RECQL
SCHEMBL8360854 0.81 MAPK14 (0.38) ALDH1A1SMN1; SMN2GAAHPGDMAPK1

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 1 patent. 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