SCHEMBL30378643

SCHEMBL30378643

CC(C)(C)c1nc(-c2cccc(NS(=O)(=O)c3c(F)cccc3F)c2F)c(-c2ccnc(CCCCCC(=O)O)n2)s1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 19/20 0.69
HDAC1 Q13547 2/20 0.69
HDAC6 Q9UBN7 2/20 0.69
HDAC3 O15379 1/20 0.69
HDAC7 Q8WUI4 1/20 0.69
HDAC2 Q92769 1/20 0.69
NR1I2 O75469 6/20 0.68
PLK4 O00444 1/20 0.68
EPHB6 O15197 1/20 0.68
RIPK2 O43353 1/20 0.68
JAK2 O60674 1/20 0.68
ULK1 O75385 1/20 0.68
ERN1 O75460 1/20 0.68
PRKD3 O94806 1/20 0.68
ABL1 P00519 1/20 0.68
KRAS P01116 1/20 0.68
RAF1 P04049 1/20 0.68
LCK P06239 1/20 0.68
FYN P06241 1/20 0.68
CDK1 P06493 1/20 0.68

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
SCHEMBL26088107 1.00 BRAF (0.69) BRAFHDAC1HDAC6HDAC3HDAC7
SCHEMBL30378573 0.99 BRAF (0.69) BRAFHDAC1HDAC6HDAC3HDAC7
SCHEMBL26090568 0.99 BRAF (0.69) BRAFHDAC1HDAC6HDAC3HDAC7
SCHEMBL30378793 0.97 BRAF (0.70) BRAFHDAC1HDAC6HDAC3HDAC7
SCHEMBL26090554 0.97 BRAF (0.70) BRAFHDAC1HDAC6HDAC3HDAC7
SCHEMBL26091182 0.94 BRAF (0.72) BRAFHDAC1HDAC6HDAC3HDAC7
SCHEMBL30378796 0.94 BRAF (0.72) BRAFHDAC1HDAC6HDAC3HDAC7
SCHEMBL30379105 0.88 BRAF (0.86) BRAFHDAC1HDAC6HDAC3HDAC7
SCHEMBL26090418 0.88 BRAF (0.86) BRAFHDAC1HDAC6HDAC3HDAC7
SCHEMBL2195339 0.87 BRAF (0.73) BRAFHDAC1HDAC6HDAC3HDAC7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023070076-A1 COMPOUNDS FOR CANCERS DRIVEN BY BRAF MUTATION THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2023-04-27 WO claimed
WO-2023070076-A1 COMPOUNDS FOR CANCERS DRIVEN BY BRAF MUTATION THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2023-04-27 WO disclosed