SCHEMBL3800440

SCHEMBL3800440

Cn1cnc2c(F)c(Nc3ccc(I)cc3F)c(NS(=O)(=O)C3CC3c3cccc(F)c3)cc21

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 19/20 0.38
BRAF P15056 5/20 0.38
MAP2K2 P36507 3/20 0.36
ABCB11 O95342 1/20 0.36
NQO2 P16083 1/20 0.36
LMNA P02545 1/20 0.33
MAP2K5 Q13163 1/20 0.32

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
SCHEMBL1343990 0.82 MAP2K1 (0.46) MAP2K1BRAFMAP2K2ABCB11NQO2
SCHEMBL13063819 0.81 MAP2K1 (0.36) MAP2K1BRAFMAP2K2ABCB11NQO2
SCHEMBL3801305 0.76 MAP2K1 (0.60) MAP2K1MAP2K2MAP2K5
SCHEMBL1342894 0.74 MAP2K1 (0.47) MAP2K1BRAFMAP2K2ABCB11NQO2
SCHEMBL13063593 0.73 MAP2K1 (0.39) MAP2K1MAP2K2
SCHEMBL3803473 0.72 MAP2K1 (0.43) MAP2K1MAP2K2MAP2K5
SCHEMBL13063577 0.71 MAP2K1 (0.41) MAP2K1MAP2K2MAP2K5
SCHEMBL29413475 0.70 MAP2K1 (0.58) MAP2K1BRAFMAP2K2ABCB11NQO2
SCHEMBL1342640 0.70 MAP2K1 (0.58) MAP2K1BRAFMAP2K2ABCB11NQO2
SCHEMBL13063552 0.69 MAP2K1 (0.58) MAP2K1MAP2K2MAP2K5

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-2010145197-A1 NOVEL 6-ARYLAMINO PYRIDONE SULFONAMIDES AND 6-ARYLAMINO PYRAZINONE SULFONAMDIES AS MEK INHIBITORS CHEMIZON (BEIJING), LTD. (CN) 2010-12-23 WO disclosed