SCHEMBL7007201

SCHEMBL7007201

COc1ccc(C(=O)Nc2cc(Cl)c3c(c2)C2CCCN2CC3)cc1C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.44
TP53 P04637 1/20 0.44
THRB P10828 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
BRAF P15056 12/20 0.43
RAF1 P04049 4/20 0.43
ATM Q13315 1/20 0.42
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.41
PDE4D Q08499 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
SCHEMBL7013060 0.86 MAPT (0.49) MAPTTP53THRBSMN1; SMN2BRAF
SCHEMBL7012602 0.86 MAPT (0.49) MAPTTP53THRBSMN1; SMN2BRAF
Hydrochloric Acid SCHEMBL7014137 0.85 MAPT (0.49) MAPTTP53THRBSMN1; SMN2BRAF
SCHEMBL7008281 0.84 BRAF (0.48) MAPTTP53THRBSMN1; SMN2BRAF
SCHEMBL7008283 0.82 MAPT (0.51) MAPTTP53THRBSMN1; SMN2BRAF
SCHEMBL7011226 0.81 MAPT (0.48) MAPTTP53THRBSMN1; SMN2BRAF
SCHEMBL7656801 0.78 BRAF (0.44) MAPTTP53THRBSMN1; SMN2BRAF
SCHEMBL7012290 0.75 MAPT (0.51) MAPTTP53THRBSMN1; SMN2BRAF
SCHEMBL5874032 0.74 ROCK2 (0.45) MAPTTP53THRBSMN1; SMN2BRAF
SCHEMBL7009946 0.74 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 4 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-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