SCHEMBL14243170

SCHEMBL14243170

Cc1cc(C(=O)NOCCOC(=O)C(C)N)c(Nc2ccc(I)cc2F)n(C)c1=O

nearest known ligand 0.77

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 17/20 0.77
MAP2K2 P36507 2/20 0.77
MAP2K5 Q13163 1/20 0.77
EIF2AK1 Q9BQI3 1/20 0.77
CYP2C9 P11712 1/20 0.47
PIM1 P11309 1/20 0.47
CAMK2B Q13554 1/20 0.47
KCNH2 Q12809 1/20 0.46

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
SCHEMBL14325183 1.00 MAP2K1 (0.77) MAP2K1MAP2K2MAP2K5EIF2AK1CYP2C9
Azd-8330 SCHEMBL29360392 0.87 MAP2K1 (1.00) MAP2K1MAP2K2MAP2K5EIF2AK1CYP2C9
Azd-8330 SCHEMBL388533 0.87 MAP2K1 (1.00) MAP2K1MAP2K2MAP2K5EIF2AK1CYP2C9
SCHEMBL2341603 0.86 MAP2K1 (0.80) MAP2K1MAP2K2MAP2K5EIF2AK1CYP2C9
SCHEMBL391096 0.86 MAP2K1 (0.77) MAP2K1MAP2K2MAP2K5EIF2AK1KCNH2
SCHEMBL391097 0.86 MAP2K1 (0.77) MAP2K1MAP2K2MAP2K5EIF2AK1KCNH2
SCHEMBL391636 0.85 MAP2K1 (0.82) MAP2K1MAP2K2MAP2K5EIF2AK1
SCHEMBL392291 0.82 MAP2K1 (0.77) MAP2K1MAP2K2MAP2K5EIF2AK1
SCHEMBL391764 0.80 MAP2K1 (0.85) MAP2K1MAP2K2MAP2K5EIF2AK1CYP2C9
SCHEMBL19443280 0.80 MAP2K1 (0.65) 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
WO-2012171020-A1 PROTEIN-POLYMER-DRUG CONJUGATES MERSANA THERAPEUTICS, INC. (US) 2012-12-13 WO disclosed