SCHEMBL2934544

SCHEMBL2934544

COc1cc(C(=O)N2CC(N(C(=O)O)C(C)(C)C)C2)ccc1Nc1cncc(-c2cc3cc(F)ccc3[nH]2)n1

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TTK P33981 12/20 0.39
CCNA2 P20248 1/20 0.39
CDK2 P24941 1/20 0.39
LRRK2 Q5S007 6/20 0.38
DYRK1A Q13627 2/20 0.37

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
SCHEMBL2931732 0.87 TTK (0.42) TTKCCNA2CDK2LRRK2
SCHEMBL2930667 0.86 TTK (0.41) TTKCCNA2CDK2LRRK2DYRK1A
Hydrochloric Acid SCHEMBL2930397 0.86 TTK (0.42) TTKCCNA2CDK2LRRK2
SCHEMBL14269675 0.86 TTK (0.43) TTKCCNA2CDK2LRRK2DYRK1A
SCHEMBL13515303 0.85 TTK (0.39) TTKCCNA2CDK2LRRK2DYRK1A
SCHEMBL2930971 0.84 DYRK1A (0.47) TTKCCNA2CDK2LRRK2DYRK1A
Hydrochloric Acid SCHEMBL2936353 0.83 MKNK1 (0.49) TTKCCNA2CDK2LRRK2DYRK1A
Trifluoroacetic Acid SCHEMBL2928635 0.83 DYRK1A (0.47) TTKLRRK2DYRK1A
SCHEMBL2931716 0.83 MKNK1 (0.42) TTKCCNA2CDK2LRRK2
SCHEMBL2933015 0.83 KDR (0.45) TTKCCNA2CDK2LRRK2DYRK1A

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-2044051-B1 PYRIDINE AND PYRAZINE DERIVATIVES AS MNK KINASE INHIBITORS BIOVITRUM AB PUBL (SE) 2010-01-27 EP claimed