SCHEMBL13616884

SCHEMBL13616884

C=C(NOCCO)c1cc(C(=O)C(F)(F)F)n(C)c1Nc1ccc(I)cc1F

nearest known ligand 0.67

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 17/20 0.67
MAP2K2 P36507 3/20 0.59
MAP2K5 Q13163 1/20 0.59
EIF2AK1 Q9BQI3 1/20 0.59
KCNH2 Q12809 2/20 0.49
CYP2C9 P11712 1/20 0.49

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
SCHEMBL1776418 0.91 MAP2K1 (0.81) MAP2K1MAP2K2MAP2K5EIF2AK1KCNH2
SCHEMBL13617046 0.90 MAP2K1 (0.82) MAP2K1MAP2K2MAP2K5EIF2AK1KCNH2
SCHEMBL14205758 0.88 MAP2K1 (0.68) MAP2K1MAP2K2MAP2K5EIF2AK1KCNH2
SCHEMBL14205760 0.88 MAP2K1 (0.67) MAP2K1MAP2K2MAP2K5EIF2AK1KCNH2
SCHEMBL14205847 0.86 MAP2K1 (0.65) MAP2K1MAP2K2MAP2K5EIF2AK1KCNH2
SCHEMBL1774202 0.81 MAP2K1 (0.85) MAP2K1MAP2K2MAP2K5EIF2AK1KCNH2
SCHEMBL1775958 0.81 MAP2K1 (1.00) MAP2K1MAP2K2MAP2K5EIF2AK1KCNH2
SCHEMBL1775029 0.80 MAP2K1 (0.84) MAP2K1MAP2K2MAP2K5EIF2AK1KCNH2
SCHEMBL1775302 0.80 MAP2K1 (0.84) MAP2K1MAP2K2MAP2K5EIF2AK1KCNH2
SCHEMBL1775805 0.79 MAP2K1 (0.82) MAP2K1MAP2K2MAP2K5EIF2AK1KCNH2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2113500-A1 MAPK/ERK kinase inhibitors Takeda Pharmaceutical Company Limited (JP) 2009-11-04 EP disclosed
WO-2008055236-A2 MAPK/ERK KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-05-08 WO disclosed