SCHEMBL4053927

SCHEMBL4053927

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

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BRAF P15056 10/20 0.50
MAPT P10636 2/20 0.45
TDP1 Q9NUW8 1/20 0.45
MAPK14 Q16539 7/20 0.42
RAF1 P04049 2/20 0.39
ERN1 O75460 1/20 0.38
ABL1 P00519 1/20 0.38
FGFR1 P11362 1/20 0.38
FLT3 P36888 1/20 0.38
MAPK8 P45983 1/20 0.38
MAPK11 Q15759 1/20 0.38
NTRK2 Q16620 1/20 0.38
HIPK1 Q86Z02 1/20 0.38
MAP3K20 Q9NYL2 1/20 0.38

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
SCHEMBL4053503 0.95 BRAF (0.51) BRAFMAPTTDP1MAPK14
SCHEMBL4051286 0.92 BRAF (0.51) BRAFMAPTTDP1MAPK14RAF1
SCHEMBL4056404 0.89 BRAF (0.50) BRAFMAPK14ABL1MAPK8
SCHEMBL4050676 0.88 BRAF (0.51) BRAFMAPTTDP1MAPK14ABL1
SCHEMBL4056272 0.86 BRAF (0.53) BRAFMAPTTDP1MAPK14ABL1
SCHEMBL4058317 0.85 BRAF (0.57) BRAFMAPTTDP1MAPK14ABL1
SCHEMBL4053112 0.84 BRAF (0.51) BRAFMAPK14ABL1MAPK8
SCHEMBL4051193 0.84 BRAF (0.51) BRAFMAPTTDP1MAPK14ABL1
SCHEMBL4049503 0.79 BRAF (0.51) BRAFMAPTTDP1MAPK14ABL1
SCHEMBL4051671 0.79 BRAF (0.49) BRAFMAPTTDP1MAPK14ABL1

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