SCHEMBL4067386

SCHEMBL4067386

CC(C)(C)CNc1nc(-c2[nH]c(C(C)(C)C)nc2-c2ccc(F)cc2F)ccc1[N+](=O)[O-]

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 7/20 0.53
ABCC8 Q09428 1/20 0.36
KCNJ11 Q14654 1/20 0.36
BRAF P15056 8/20 0.35
ATM Q13315 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
JAK2 O60674 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
SCHEMBL3992075 0.87 MAPK14 (0.51) MAPK14BRAFTDP1MEN1KMT2A
SCHEMBL4068114 0.86 MAPK14 (0.43) MAPK14ABCC8KCNJ11ATMTDP1
SCHEMBL3992567 0.81 MAPK14 (0.45) MAPK14BRAFTDP1MEN1KMT2A
SCHEMBL4122831 0.77 MAPT (0.43) MAPK14BRAFKMT2A
SCHEMBL4066421 0.75 MAPK14 (0.44) MAPK14BRAF
SCHEMBL4067103 0.75 MAPK14 (0.40) MAPK14BRAFTDP1MEN1KMT2A
SCHEMBL4063899 0.74 MAPK14 (0.54) MAPK14TDP1MEN1KMT2A
SCHEMBL4071112 0.73 CSNK1A1 (0.43) MAPK14BRAFJAK2
SCHEMBL3991522 0.72 BRAF (0.45) MAPK14BRAFTDP1MEN1KMT2A
SCHEMBL3997933 0.71 MAPK14 (0.51) MAPK14

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
EP-1713805-B1 KINASE INHIBITORS LILLY CO ELI (US) 2009-06-10 EP disclosed