SCHEMBL16199029

SCHEMBL16199029

COC(=O)[C@@H]1C2CCC(CC2)C1Nc1ccnc(-c2nn(C)c3ncc(F)cc23)n1

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 2/20 0.38
GSK3B P49841 2/20 0.38
JAK2 O60674 1/20 0.37
SRC P12931 1/20 0.37
FLT3 P36888 1/20 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
SCHEMBL16199041 1.00 GSK3A (0.38) GSK3AGSK3BJAK2SRCFLT3
SCHEMBL9977821 0.83 GSK3A (0.43) GSK3AGSK3BJAK2SRCFLT3
SCHEMBL16199389 0.83 GSK3A (0.43) GSK3AGSK3BJAK2SRCFLT3
SCHEMBL16199026 0.83 GSK3A (0.43) GSK3AGSK3BJAK2SRCFLT3
SCHEMBL16199040 0.83 GSK3A (0.43) GSK3AGSK3BJAK2SRCFLT3
SCHEMBL16199390 0.83 GSK3A (0.43) GSK3AGSK3BJAK2SRCFLT3
SCHEMBL16199042 0.83 GSK3A (0.51) GSK3AGSK3BJAK2SRCFLT3
SCHEMBL16199059 0.83 GSK3A (0.51) GSK3AGSK3BJAK2SRCFLT3
SCHEMBL9970867 0.75 GSK3A (0.35) GSK3AGSK3BJAK2SRCFLT3
SCHEMBL16199058 0.75 GSK3A (0.43) GSK3AGSK3BJAK2SRCFLT3

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
US-8871774-B2 Inhibitors of influenza viruses replication VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-10-28 US disclosed