SCHEMBL7008281

SCHEMBL7008281

COc1ccc(C(=O)Nc2cnc3c(c2)C2CCCN2CC3)cc1C(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
BRAF P15056 18/20 0.48
RAF1 P04049 3/20 0.48
TP53 P04637 1/20 0.43
MAPT P10636 1/20 0.43
THRB P10828 1/20 0.43
SMN1; SMN2 Q16637 1/20 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
SCHEMBL7012602 0.85 MAPT (0.49) BRAFRAF1TP53MAPTTHRB
Hydrochloric Acid SCHEMBL7014137 0.84 MAPT (0.49) BRAFRAF1TP53MAPTTHRB
SCHEMBL7007201 0.84 MAPT (0.44) BRAFRAF1TP53MAPTTHRB
SCHEMBL7013060 0.83 MAPT (0.49) BRAFRAF1TP53MAPTTHRB
SCHEMBL7945155 0.80 BRAF (0.51) BRAFRAF1
SCHEMBL7008283 0.79 MAPT (0.51) BRAFRAF1TP53MAPTTHRB
SCHEMBL7011226 0.79 MAPT (0.48) BRAFRAF1TP53MAPTTHRB
SCHEMBL7012290 0.74 MAPT (0.51) BRAFRAF1TP53MAPTTHRB
SCHEMBL7009946 0.73 NAMPT (0.52)
Hydrochloric Acid SCHEMBL7008344 0.73 NAMPT (0.52)

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
EP-1102769-B1 TRICYCLIC CARBOXAMIDES SMITHKLINE BEECHAM PLC (GB) 2003-04-16 EP claimed
EP-1102769-A2 TRICYCLIC CARBOXAMIDES SMITHKLINE BEECHAM PLC (GB) 2001-05-30 EP claimed
WO-2000008020-A2 TRICYCLIC CARBOXAMIDES SMITHKLINE BEECHAM P.L.C. (GB) 2000-02-17 WO claimed
EP-1102769-B1 TRICYCLIC CARBOXAMIDES SMITHKLINE BEECHAM PLC (GB) 2003-04-16 EP disclosed
EP-1102769-A2 TRICYCLIC CARBOXAMIDES SMITHKLINE BEECHAM PLC (GB) 2001-05-30 EP disclosed
WO-2000008020-A2 TRICYCLIC CARBOXAMIDES SMITHKLINE BEECHAM P.L.C. (GB) 2000-02-17 WO disclosed