SCHEMBL7951820

SCHEMBL7951820

CCOc1ccc(C(=O)Nc2cc3c(nc2Br)CCN(C)C3)cc1Br.COc1ccc(C(=O)Nc2cc3c(nc2Br)CCN(C)C3)cc1C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
ALOX15 P16050 1/20 0.47
ALOX12 P18054 1/20 0.47
NR4A1 P22736 1/20 0.47
HSD17B10 Q99714 1/20 0.47
CYP1A2 P05177 2/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2C19 P33261 2/20 0.43
KDM4E B2RXH2 1/20 0.43
BRAF P15056 9/20 0.43
TP53 P04637 2/20 0.42
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
NTRK1 P04629 1/20 0.41
ALDH1A1 P00352 1/20 0.40
NPC1 O15118 1/20 0.40
MAPK1 P28482 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
SCHEMBL8142004 0.93 MAPT (0.46) MAPTSMN1; SMN2ALOX15ALOX12NR4A1
SCHEMBL7954006 0.92 MAPT (0.46) MAPTCYP1A2CYP3A4CYP2C19KDM4E
SCHEMBL7951754 0.91 MAPT (0.55) MAPTSMN1; SMN2ALOX15ALOX12NR4A1
SCHEMBL7945241 0.83 BRAF (0.48) MAPTBRAFNTRK1
SCHEMBL7945170 0.83 MAPT (0.55) MAPTSMN1; SMN2ALOX15ALOX12NR4A1
SCHEMBL7953340 0.82 MAPT (0.49) MAPTBRAFNTRK1
SCHEMBL7951772 0.82 MAPT (0.56) MAPTSMN1; SMN2ALOX15ALOX12NR4A1
SCHEMBL7955607 0.80 MAPT (0.44) MAPTALOX15BRAFNTRK1ALDH1A1
SCHEMBL7945155 0.77 BRAF (0.51) CYP3A4BRAF
SCHEMBL8139348 0.77 BRAF (0.43) MAPTALOX15BRAFNTRK1ALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6245778-B1 1,6-naphthyridine anti-convulsants SMITHKLINE BEECHAM P.L.C. (GB) 2001-06-12 US claimed
EP-0986559-A1 1,6-NAPHTHYRIDINE ANTI-CONVULSANTS SMITHKLINE BEECHAM PLC (GB) 2000-03-22 EP disclosed
WO-1998054184-A1 1,6-NAPHTHYRIDINE ANTI-CONVULSANTS SMITHKLINE BEECHAM PLC (GB) 1998-12-03 WO disclosed