SCHEMBL22061371

SCHEMBL22061371

O=C1NC2(CCC2)Nc2nc(Cl)ccc21

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.33
GLA P06280 1/20 0.33
CDC7 O00311 3/20 0.32
CCNE1 P24864 3/20 0.32
CDK2 P24941 3/20 0.32
ROCK1 Q13464 3/20 0.32
DBF4 Q9UBU7 3/20 0.32
CHEK1 O14757 1/20 0.32
LIMK1 P53667 1/20 0.32

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
SCHEMBL22061420 0.72 CDC7 (0.32) KDM4ECDC7CCNE1CDK2ROCK1
SCHEMBL22061498 0.69 MKNK1 (0.46)
SCHEMBL17407299 0.67 CES1 (0.48) CDK2
SCHEMBL29361608 0.65 TDP2 (0.35) KDM4E
SCHEMBL14991726 0.65 TDP2 (0.35) KDM4E
SCHEMBL24311518 0.65 PPOX (0.33) CDK2
SCHEMBL22061567 0.63 PRKCA (0.36)
SCHEMBL2074537 0.61 MAPK14 (0.41)
SCHEMBL12525012 0.61 MAPT (0.33) CDK2
SCHEMBL11981424 0.61 KDM4E (0.67) KDM4EGLACDC7CCNE1CDK2

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-2020108619-A1 MNK INHIBITOR 上海迪诺医药科技有限公司 2020-06-04 WO disclosed