SCHEMBL7955607

SCHEMBL7955607

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

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.44
BRAF P15056 9/20 0.44
NTRK1 P04629 1/20 0.44
USP2 O75604 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
ALOX15 P16050 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
PTK2 Q05397 4/20 0.42
POLB P06746 1/20 0.41
HDAC8 Q9BY41 1/20 0.41

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 0.96 BRAF (0.43) MAPTBRAFNTRK1USP2ALDH1A1
SCHEMBL7945241 0.88 BRAF (0.48) MAPTBRAFNTRK1
SCHEMBL7954006 0.87 MAPT (0.46) MAPTBRAFNTRK1HDAC8
SCHEMBL7953340 0.87 MAPT (0.49) MAPTBRAFNTRK1
SCHEMBL7951820 0.80 MAPT (0.47) MAPTBRAFNTRK1ALDH1A1ALOX15
SCHEMBL7945155 0.80 BRAF (0.51) BRAF
SCHEMBL8142004 0.80 MAPT (0.46) MAPTBRAFNTRK1ALOX15
SCHEMBL6293655 0.76 ROCK2 (0.61) MAPTBRAFPOLB
SCHEMBL6602301 0.75 HDAC8 (0.48) MAPTBRAFPTK2HDAC8
SCHEMBL6602603 0.75 HDAC8 (0.46) MAPTBRAFHDAC8

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