SCHEMBL8142004

SCHEMBL8142004

CCOc1ccc(C(=O)Nc2cc3c(nc2C)CCN(C)C3)cc1Br.COc1ccc(C(=O)Nc2cc3c(nc2C)CCN(C)C3)cc1C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.46
ALOX15 P16050 1/20 0.46
ALOX12 P18054 1/20 0.46
NR4A1 P22736 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HSD17B10 Q99714 1/20 0.46
BRAF P15056 12/20 0.43
KDM4E B2RXH2 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C19 P33261 1/20 0.43
TP53 P04637 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
NTRK1 P04629 1/20 0.40

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
SCHEMBL7951820 0.93 MAPT (0.47) MAPTALOX15ALOX12NR4A1SMN1; SMN2
SCHEMBL7945241 0.91 BRAF (0.48) MAPTBRAFNTRK1
SCHEMBL7945170 0.91 MAPT (0.55) MAPTALOX15ALOX12NR4A1SMN1; SMN2
SCHEMBL7954006 0.85 MAPT (0.46) MAPTBRAFKDM4ECYP1A2CYP3A4
SCHEMBL8139348 0.84 BRAF (0.43) MAPTALOX15BRAFNTRK1
SCHEMBL7951754 0.83 MAPT (0.55) MAPTALOX15ALOX12NR4A1SMN1; SMN2
SCHEMBL7951772 0.82 MAPT (0.56) MAPTALOX15ALOX12NR4A1SMN1; SMN2
SCHEMBL7953340 0.82 MAPT (0.49) MAPTBRAFNTRK1
SCHEMBL7955607 0.80 MAPT (0.44) MAPTALOX15BRAFNTRK1
SCHEMBL7945155 0.77 BRAF (0.51) BRAFCYP3A4

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
EP-0986559-A1 1,6-NAPHTHYRIDINE ANTI-CONVULSANTS SMITHKLINE BEECHAM PLC (GB) 2000-03-22 EP claimed
WO-1998054184-A1 1,6-NAPHTHYRIDINE ANTI-CONVULSANTS SMITHKLINE BEECHAM PLC (GB) 1998-12-03 WO claimed