SCHEMBL10216183

SCHEMBL10216183

C=Nc1cccc(-c2nn(CC)cc2-c2ccncc2)c1F

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BRAF P15056 3/20 0.42
MAPK3 P27361 2/20 0.42
MAPK1 P28482 2/20 0.42
MAPK13 O15264 1/20 0.38
CSNK1D P48730 1/20 0.38
CSNK1E P49674 1/20 0.38
MAPK12 P53778 1/20 0.38
MAPK11 Q15759 1/20 0.38
MAPK14 Q16539 1/20 0.38
SLC6A3 Q01959 1/20 0.33

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
SCHEMBL574873 0.81 BRAF (0.42) BRAFMAPK3MAPK1MAPK13CSNK1D
SCHEMBL27908264 0.71 BRAF (0.40) BRAFMAPK3MAPK1MAPK13CSNK1D
SCHEMBL15192238 0.71 CYP17A1 (0.40) BRAFMAPK3MAPK1
SCHEMBL15192043 0.71 PIK3CA (0.43) BRAF
SCHEMBL27908263 0.71 BRAF (0.36) BRAFMAPK3MAPK1MAPK13CSNK1D
SCHEMBL17836530 0.70 BRAF (0.34) BRAFMAPK3MAPK1MAPK13CSNK1D
SCHEMBL574898 0.70 BRD4 (0.45) BRAF
SCHEMBL1847759 0.70 BRAF (0.40) BRAFMAPK3MAPK1MAPK13CSNK1D
SCHEMBL2050662 0.69 BRAF (0.44) BRAFMAPK3MAPK1MAPK13CSNK1D
SCHEMBL24950777 0.69 BRAF (0.57) BRAFMAPK3MAPK1MAPK13CSNK1D

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-2012016993-A1 DERIVATIVES OF PYRAZOLOPHENYL-BENZENESULFONAMIDE COMPOUNDS AND USE THEREOF AS ANTITUMOR AGENTS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2012-02-09 WO disclosed