SCHEMBL7945241

SCHEMBL7945241

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

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BRAF P15056 14/20 0.48
MAPT P10636 2/20 0.47
NTRK1 P04629 3/20 0.44
RAF1 P04049 2/20 0.43

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
SCHEMBL8139348 0.93 BRAF (0.43) BRAFMAPTNTRK1RAF1
SCHEMBL8142004 0.91 MAPT (0.46) BRAFMAPTNTRK1
SCHEMBL7953340 0.90 MAPT (0.49) BRAFMAPTNTRK1RAF1
SCHEMBL7954006 0.90 MAPT (0.46) BRAFMAPTNTRK1RAF1
SCHEMBL7955607 0.88 MAPT (0.44) BRAFMAPTNTRK1
SCHEMBL7951820 0.83 MAPT (0.47) BRAFMAPTNTRK1
SCHEMBL7945155 0.83 BRAF (0.51) BRAFRAF1
SCHEMBL6602603 0.80 HDAC8 (0.46) BRAFMAPTRAF1
SCHEMBL6293655 0.79 ROCK2 (0.61) BRAFMAPTRAF1
SCHEMBL7945170 0.78 MAPT (0.55) MAPT

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 4 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
US-6245778-B1 1,6-naphthyridine anti-convulsants SMITHKLINE BEECHAM P.L.C. (GB) 2001-06-12 US disclosed
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