SCHEMBL10129575

SCHEMBL10129575

CCCCCN(CCC)c1cncc(-c2cn(-c3c(F)ccc(NS(=O)(=O)CCC)c3F)nn2)c1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BRAF P15056 17/20 0.51
MAP3K20 Q9NYL2 12/20 0.42
RIPK2 O43353 1/20 0.40
ABL1 P00519 1/20 0.40
LCK P06239 1/20 0.40
FLT3 P36888 1/20 0.40
BLK P51451 1/20 0.40
LIMK1 P53667 1/20 0.40
LIMK2 P53671 1/20 0.40
RAF1 P04049 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
SCHEMBL16573187 0.99 BRAF (0.50) BRAFMAP3K20RIPK2ABL1LCK
SCHEMBL16573188 0.92 BRAF (0.42) BRAFMAP3K20
SCHEMBL10129950 0.87 BRAF (0.43) BRAFMAP3K20LCKLIMK1LIMK2
SCHEMBL16573185 0.87 BRAF (0.45) BRAFMAP3K20RAF1
SCHEMBL16573205 0.87 BRAF (0.45) BRAFMAP3K20RAF1
SCHEMBL16573249 0.86 BRAF (0.47) BRAFMAP3K20RIPK2ABL1LCK
SCHEMBL16573206 0.85 BRAF (0.46) BRAFMAP3K20RIPK2ABL1LCK
SCHEMBL10129951 0.84 BRAF (0.41) BRAFMAP3K20LCKLIMK1LIMK2
SCHEMBL16573221 0.84 BRAF (0.43) BRAFMAP3K20RAF1
SCHEMBL10129570 0.84 BRAF (0.43) BRAFMAP3K20LCKLIMK1LIMK2

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-2012085127-A1 NEW TRIAZOLYLPHENYL SULFONAMIDES AS SERINE/THREONINE KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-28 WO disclosed