SCHEMBL4049173

SCHEMBL4049173

COc1cc(-c2c(-c3ccncc3)nn3c4c(cnc23)C(O)(CC(Br)CBr)CCC4)ccc1Br

nearest known ligand 0.37

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BRAF P15056 17/20 0.37
CYP3A4 P08684 1/20 0.31
CYP11B1 P15538 1/20 0.31
CYP11B2 P19099 1/20 0.31

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
SCHEMBL4047243 0.77 BRAF (0.38) BRAF
SCHEMBL4046191 0.61 NPC1 (0.53) BRAFCYP3A4
SCHEMBL1016142 0.59 BRAF (0.64) BRAF
SCHEMBL31300130 0.58 MAPT (0.49) CYP3A4
SCHEMBL4052299 0.58 BRAF (0.40) BRAF
SCHEMBL4048461 0.57 BRAF (0.49) BRAFCYP3A4
SCHEMBL4047106 0.57 BRAF (0.51) BRAF
SCHEMBL4045295 0.56 BRAF (0.46) BRAFCYP11B1
SCHEMBL1014169 0.55 BRAF (0.68) BRAF
SCHEMBL4052889 0.54 BRAF (0.47) BRAF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009108827-A1 FUSED TRICYCLIC PYRAZOLO[1, 5-A]PYRIMIDINES, METHODS FOR PREPARATION AND USES THEREOF WYETH (US) 2009-09-03 WO disclosed