SCHEMBL10130221

SCHEMBL10130221

CCCN(CC/C=C\C1CC1)c1cncc(-c2cn(-c3c(F)ccc(NS(=O)(=O)c4ccoc4)c3Cl)nn2)c1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAP3K20 Q9NYL2 18/20 0.37
BRAF P15056 12/20 0.36
LCK P06239 2/20 0.34
LIMK1 P53667 2/20 0.34
LIMK2 P53671 2/20 0.34
RIPK2 O43353 1/20 0.34
ABL1 P00519 1/20 0.34
FLT3 P36888 1/20 0.34
BLK P51451 1/20 0.34
LMNA P02545 1/20 0.31
TP53 P04637 1/20 0.31
POLB P06746 1/20 0.31
MAPT P10636 1/20 0.31

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
SCHEMBL10129946 0.94 BRAF (0.42) MAP3K20BRAFLCKLIMK1LIMK2
SCHEMBL10130214 0.88 BRAF (0.38) MAP3K20BRAF
SCHEMBL16573195 0.87 MAP3K20 (0.40) MAP3K20BRAFLCKLIMK1LIMK2
SCHEMBL16573196 0.85 BRAF (0.36) MAP3K20BRAFLCKLIMK1LIMK2
SCHEMBL16573206 0.81 BRAF (0.46) MAP3K20BRAFLCKLIMK1LIMK2
SCHEMBL10130220 0.80 MAP3K20 (0.49) MAP3K20BRAFLCKLIMK1LIMK2
SCHEMBL16573189 0.79 BRAF (0.43) MAP3K20BRAFLCKLIMK1LIMK2
SCHEMBL10129779 0.79 BRAF (0.46) MAP3K20BRAFLCKLIMK1LIMK2
SCHEMBL10130222 0.77 MAP3K20 (0.47) MAP3K20BRAFLCKLIMK1LIMK2
SCHEMBL10129781 0.77 BRAF (0.59) MAP3K20BRAFLCKLIMK1LIMK2

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