SCHEMBL4051286

SCHEMBL4051286

COc1cccc(-c2c(-c3ccncc3)nn3c(-c4cccc(S(=O)(=O)NCCCO)c4)ccnc23)c1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BRAF P15056 12/20 0.51
MAPT P10636 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
MAPK14 Q16539 5/20 0.42
RAF1 P04049 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
MAPK8 P45983 1/20 0.39
MAPK9 P45984 1/20 0.39
MAPK10 P53779 1/20 0.39
KCNH2 Q12809 1/20 0.39

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
SCHEMBL4053927 0.92 BRAF (0.50) BRAFMAPTTDP1MAPK14RAF1
SCHEMBL4053503 0.89 BRAF (0.51) BRAFMAPTTDP1MAPK14
SCHEMBL4051193 0.85 BRAF (0.51) BRAFMAPTTDP1MAPK14
SCHEMBL4056404 0.83 BRAF (0.50) BRAFMAPK14CYP3A4CYP2D6MAPK8
SCHEMBL4058317 0.83 BRAF (0.57) BRAFMAPTTDP1MAPK14
SCHEMBL4050676 0.80 BRAF (0.51) BRAFMAPTTDP1MAPK14
SCHEMBL4053112 0.79 BRAF (0.51) BRAFMAPK14MAPK8MAPK9MAPK10
SCHEMBL4056272 0.79 BRAF (0.53) BRAFMAPTTDP1MAPK14
SCHEMBL4049503 0.78 BRAF (0.51) BRAFMAPTTDP1MAPK14
SCHEMBL1017008 0.77 BRAF (0.63) BRAFMAPTTDP1MAPK14

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-2009111260-A1 PHENYLSULFONAMIDE-SUBSTITUTED, PYRAZOLO[1, 5-A]PYRIMIDINES, METHODS FOR PREPARATION AND USES THEREOF WYETH (US) 2009-09-11 WO disclosed