SCHEMBL4050676

SCHEMBL4050676

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 17/20 0.51
MAPT P10636 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
CHEK1 O14757 1/20 0.38
ABL1 P00519 1/20 0.38
PRKCB P05771 1/20 0.38
FYN P06241 1/20 0.38
CDK1 P06493 1/20 0.38
LYN P07948 1/20 0.38
MET P08581 1/20 0.38
HCK P08631 1/20 0.38
SRC P12931 1/20 0.38
PDGFRA P16234 1/20 0.38
PRKCA P17252 1/20 0.38
CDK2 P24941 1/20 0.38
MAPKAPK2 P49137 1/20 0.38
MAP4K2 Q12851 1/20 0.38
ROCK1 Q13464 1/20 0.38
RPS6KA1 Q15418 1/20 0.38
MAPK14 Q16539 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
SCHEMBL4056272 0.95 BRAF (0.53) BRAFMAPTTDP1CHEK1ABL1
SCHEMBL4051193 0.93 BRAF (0.51) BRAFMAPTTDP1CHEK1ABL1
SCHEMBL4058317 0.89 BRAF (0.57) BRAFMAPTTDP1CHEK1ABL1
SCHEMBL4051671 0.89 BRAF (0.49) BRAFMAPTTDP1CHEK1ABL1
SCHEMBL4051889 0.89 BRAF (0.50) BRAFCHEK1ABL1PRKCBFYN
SCHEMBL4053927 0.88 BRAF (0.50) BRAFMAPTTDP1ABL1MAPK14
SCHEMBL4053503 0.86 BRAF (0.51) BRAFMAPTTDP1MAPK14
SCHEMBL4050624 0.84 BRAF (0.51) BRAFCHEK1ABL1PRKCBFYN
SCHEMBL4049503 0.84 BRAF (0.51) BRAFMAPTTDP1CHEK1ABL1
SCHEMBL4051286 0.80 BRAF (0.51) 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