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SCHEMBL14632010

SCHEMBL14632010

CCn1c(Nc2ccc(I)cc2F)c(OC(=O)NOCCOC(C)(C)C)c(=O)n(C)c1=O

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MAP2K1 Q02750 18/20 0.47
▸ MAP2K2 P36507 3/20 0.47
▸ MAP2K5 Q13163 1/20 0.47
▸ EIF2AK1 Q9BQI3 1/20 0.47
▸ CYP2C9 P11712 1/20 0.39
▸ PIM1 P11309 1/20 0.38
▸ CAMK2B Q13554 1/20 0.38

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
SCHEMBL14632075 0.93 MAP2K1 (0.47) MAP2K1MAP2K2MAP2K5EIF2AK1CYP2C9
SCHEMBL14632111 0.90 MAP2K1 (0.58) MAP2K1MAP2K2MAP2K5EIF2AK1CYP2C9
SCHEMBL221299 0.87 MAP2K1 (0.53) MAP2K1MAP2K2MAP2K5EIF2AK1
SCHEMBL218992 0.83 MAP2K1 (0.56) MAP2K1MAP2K2MAP2K5EIF2AK1
SCHEMBL14631968 0.83 MAP2K1 (0.58) MAP2K1MAP2K2MAP2K5EIF2AK1CYP2C9
SCHEMBL14631996 0.81 MAP2K1 (0.39) MAP2K1MAP2K2MAP2K5EIF2AK1CYP2C9
SCHEMBL14631973 0.81 MAP2K1 (0.61) MAP2K1MAP2K2MAP2K5EIF2AK1CYP2C9
SCHEMBL14632108 0.79 MAP2K1 (0.59) MAP2K1MAP2K2MAP2K5EIF2AK1CYP2C9
SCHEMBL14632025 0.79 MAP2K1 (0.59) MAP2K1MAP2K2MAP2K5EIF2AK1CYP2C9
SCHEMBL14632073 0.77 MAP2K1 (0.51) 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