SCHEMBL2334015

SCHEMBL2334015

O=C(Nc1n[nH]c2c(F)c(F)c(-c3ccccc3)cc12)ON1CCCC1

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 11/20 0.50
CDK2 P24941 4/20 0.50
CDK1 P06493 3/20 0.50
GSK3A P49840 5/20 0.39
CHRM3 P20309 3/20 0.35
MAPK1 P28482 5/20 0.34
CDK4 P11802 1/20 0.33

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
SCHEMBL2338792 0.99 GSK3B (0.49) GSK3BCDK2CDK1GSK3ACHRM3
SCHEMBL2333341 0.84 GSK3B (0.53) GSK3BCDK2CDK1GSK3AMAPK1
SCHEMBL1377235 0.83 GSK3B (0.52) GSK3BCDK2CDK1GSK3A
SCHEMBL4381668 0.81 GSK3B (0.60) GSK3BCDK2CDK1GSK3AMAPK1
SCHEMBL2332408 0.80 GSK3B (0.60) GSK3BCDK2CDK1GSK3AMAPK1
SCHEMBL4392816 0.77 GSK3B (0.61) GSK3BCDK2CDK1GSK3AMAPK1
SCHEMBL1461697 0.75 GSK3B (0.82) GSK3BCDK2CDK1GSK3AMAPK1
SCHEMBL2337608 0.72 GSK3B (0.49) GSK3BCDK2CDK1GSK3A
SCHEMBL2331113 0.70 GSK3B (0.73) GSK3BCDK2CDK1GSK3AMAPK1
SCHEMBL1379083 0.69 GSK3B (0.46) GSK3BCDK2CDK1

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-1572200-B1 AMINOINDAZOLE DERIVATIVES AND USE THEREOF AS KINASE INHIBITORS AVENTIS PHARMA SA (FR) 2011-08-17 EP claimed