SCHEMBL14632012

SCHEMBL14632012

Cc1cc(Br)ccc1Nc1c(OC(=O)NOCCO)c(=O)n(C)c(=O)n1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 16/20 0.45
MAP2K2 P36507 4/20 0.42
MAP2K5 Q13163 1/20 0.42
EIF2AK1 Q9BQI3 1/20 0.42
LMNA P02545 1/20 0.38
MAPT P10636 2/20 0.37
RXFP1 Q9HBX9 1/20 0.37
ABCB11 O95342 1/20 0.36
NQO2 P16083 1/20 0.36
SMC2 O95347 1/20 0.35
EGFR P00533 1/20 0.35
CSNK2A2 P19784 1/20 0.35
SMC1A Q14683 1/20 0.35
AAK1 Q2M2I8 1/20 0.35
Q6ZSR9 Q6ZSR9 1/20 0.35
BMP2K Q9NSY1 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
BRD4 O60885 1/20 0.35
TP53 P04637 1/20 0.35

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
SCHEMBL14631994 0.90 MAP2K1 (0.54) MAP2K1MAP2K2MAP2K5EIF2AK1ABCB11
SCHEMBL14632018 0.90 MAP2K1 (0.46) MAP2K1MAP2K2MAP2K5EIF2AK1LMNA
SCHEMBL14632059 0.89 MAP2K1 (0.53) MAP2K1MAP2K2MAP2K5EIF2AK1
SCHEMBL220306 0.84 MAP2K1 (0.56) MAP2K1MAP2K2MAP2K5EIF2AK1LMNA
SCHEMBL14632081 0.80 MAP2K1 (0.48) MAP2K1MAP2K2MAP2K5EIF2AK1
SCHEMBL14631973 0.80 MAP2K1 (0.61) MAP2K1MAP2K2MAP2K5EIF2AK1
SCHEMBL14631956 0.78 MAP2K1 (0.48) MAP2K1MAP2K2MAP2K5EIF2AK1
SCHEMBL14631993 0.78 MAP2K1 (0.57) MAP2K1MAP2K2MAP2K5EIF2AK1
SCHEMBL14632060 0.77 MAP2K1 (0.45) MAP2K1MAP2K2MAP2K5EIF2AK1
SCHEMBL14631997 0.77 MAP2K1 (0.48) MAP2K1MAP2K2MAP2K5EIF2AK1

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-2091941-B1 MAPK/ERK KINASE INHIBITORS TAKEDA PHARMACEUTICAL (JP) 2013-01-23 EP claimed