SCHEMBL570183

SCHEMBL570183

Cc1cc(C(=O)NOCCO)c(Nc2ccc(Cl)cc2F)n(C)c1=O

nearest known ligand 0.79

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 19/20 0.79
MAP2K2 P36507 3/20 0.79
MAP2K5 Q13163 1/20 0.79
EIF2AK1 Q9BQI3 1/20 0.79
CYP2C9 P11712 1/20 0.47

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
SCHEMBL18576802 0.90 MAP2K1 (0.82) MAP2K1MAP2K2MAP2K5EIF2AK1CYP2C9
SCHEMBL393158 0.89 MAP2K1 (0.79) MAP2K1MAP2K2MAP2K5EIF2AK1
Azd-8330 SCHEMBL29360392 0.89 MAP2K1 (1.00) MAP2K1MAP2K2MAP2K5EIF2AK1CYP2C9
SCHEMBL12295137 0.89 MAP2K1 (0.79) MAP2K1MAP2K2MAP2K5EIF2AK1CYP2C9
Azd-8330 SCHEMBL388533 0.89 MAP2K1 (1.00) MAP2K1MAP2K2MAP2K5EIF2AK1CYP2C9
SCHEMBL392617 0.87 MAP2K1 (0.77) MAP2K1MAP2K2MAP2K5EIF2AK1CYP2C9
SCHEMBL392221 0.83 MAP2K1 (0.79) MAP2K1MAP2K2MAP2K5EIF2AK1CYP2C9
SCHEMBL393671 0.83 MAP2K1 (0.65) MAP2K1MAP2K2MAP2K5EIF2AK1
SCHEMBL387711 0.82 MAP2K1 (0.81) MAP2K1MAP2K2MAP2K5EIF2AK1CYP2C9
SCHEMBL388763 0.82 MAP2K1 (0.67) 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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2600862-B1 INHIBITORS OF ERK FOR DEVELOPMENTAL DISORDERS OF NEURONAL CONNECTIVITY UNIV CASE WESTERN RESERVE (US) 2016-04-20 EP claimed
US-20150141380-A1 INHIBITORS OF ERK FOR DEVELOPMENTAL DISORDERS OF NEURONAL CONNECTIVITY CASE WESTERN RESERVE UNIVERSITY (US) 2015-05-21 US claimed
EP-2600862-A2 INHIBITORS OF ERK FOR DEVELOPMENTAL DISORDERS OF NEURONAL CONNECTIVITY Case Western Reserve University (US) 2013-06-12 EP claimed
WO-2012019113-A2 INHIBITORS OF ERK FOR DEVELOPMENTAL DISORDERS OF NEURONAL CONNECTIVITY CASE WESTERN RESERVE UNIVERSITY (US) 2012-02-09 WO claimed
US-10941194-B2 Methods of diagnosing and treating autism spectrum disorders THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2021-03-09 US disclosed
US-20180002410-A1 METHODS OF DIAGNOSING AND TREATING AUTISM SPECTRUM DISORDERS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2018-01-04 US disclosed
EP-2600862-B1 INHIBITORS OF ERK FOR DEVELOPMENTAL DISORDERS OF NEURONAL CONNECTIVITY UNIV CASE WESTERN RESERVE (US) 2016-04-20 EP disclosed
US-20150141380-A1 INHIBITORS OF ERK FOR DEVELOPMENTAL DISORDERS OF NEURONAL CONNECTIVITY CASE WESTERN RESERVE UNIVERSITY (US) 2015-05-21 US disclosed
EP-2600862-A2 INHIBITORS OF ERK FOR DEVELOPMENTAL DISORDERS OF NEURONAL CONNECTIVITY Case Western Reserve University (US) 2013-06-12 EP disclosed
WO-2012019113-A2 INHIBITORS OF ERK FOR DEVELOPMENTAL DISORDERS OF NEURONAL CONNECTIVITY CASE WESTERN RESERVE UNIVERSITY (US) 2012-02-09 WO disclosed