SCHEMBL2013843

SCHEMBL2013843

NC(OC(=O)C(F)(F)F)c1cc(Cl)c2ccnnc2c1-c1cccc(F)c1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BCL2 P10415 1/20 0.48
PIK3CD O00329 2/20 0.46
NT5E P21589 1/20 0.33
ADAMTS5 Q9UNA0 6/20 0.33
GRIN2B Q13224 3/20 0.32
PTPN11 Q06124 1/20 0.30
ICMT O60725 1/20 0.30

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
SCHEMBL2012080 0.84 BCL2 (0.41) BCL2PIK3CDNT5EADAMTS5GRIN2B
Trifluoroacetic Acid SCHEMBL2012076 0.84 BCL2 (0.53) BCL2PIK3CDNT5EADAMTS5GRIN2B
SCHEMBL2163803 0.80 BCL2 (0.60) BCL2PIK3CDNT5E
SCHEMBL2017233 0.80 BCL2 (0.60) BCL2PIK3CDNT5E
SCHEMBL2165713 0.79 BCL2 (0.42) BCL2PIK3CDNT5EGRIN2BPTPN11
Cadaverine Tartrate SCHEMBL2163375 0.78 BCL2 (0.53) BCL2PIK3CDNT5EADAMTS5
SCHEMBL2163762 0.78 PIK3CD (0.58) BCL2PIK3CDNT5EADAMTS5
SCHEMBL2019258 0.78 PIK3CD (0.58) BCL2PIK3CDNT5EADAMTS5
SCHEMBL12632222 0.77 PIK3CD (0.59) BCL2PIK3CDNT5EADAMTS5
Trifluoroacetic Acid SCHEMBL2013841 0.76 BCL2 (0.42) BCL2PIK3CDNT5EGRIN2BPTPN11

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-2011075630-A1 SUBSTITUTED FUSED ARYL AND HETEROARYL DERIVATIVES AS PI3K INHIBITORS INCYTE CORPORATION (US) 2011-06-23 WO disclosed