SCHEMBL2012080

SCHEMBL2012080

NC(Cc1cc(Cl)c2ccnnc2c1-c1cccc(F)c1)OC(=O)C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BCL2 P10415 1/20 0.41
PIK3CD O00329 1/20 0.39
GRIN2B Q13224 4/20 0.32
NT5E P21589 1/20 0.32
ICMT O60725 4/20 0.31
ADAMTS5 Q9UNA0 1/20 0.30
DPP4 P27487 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
SCHEMBL2013843 0.84 BCL2 (0.48) BCL2PIK3CDGRIN2BNT5EICMT
Trifluoroacetic Acid SCHEMBL2013841 0.81 BCL2 (0.42) BCL2PIK3CDGRIN2BNT5EICMT
Trifluoroacetic Acid SCHEMBL2012078 0.80 BCL2 (0.41) BCL2PIK3CDGRIN2BNT5EICMT
SCHEMBL12403232 0.77 BCL2 (0.48) BCL2PIK3CDGRIN2BNT5EDPP4
SCHEMBL2165713 0.76 BCL2 (0.42) BCL2PIK3CDGRIN2BNT5EICMT
Trifluoroacetic Acid SCHEMBL2012076 0.76 BCL2 (0.53) BCL2PIK3CDGRIN2BNT5EADAMTS5
SCHEMBL12491178 0.75 BCL2 (0.47) BCL2PIK3CDNT5EDPP4
SCHEMBL2019261 0.75 PIK3CD (0.44) BCL2PIK3CDGRIN2BNT5E
SCHEMBL2038100 0.72 PIK3CD (0.41) BCL2PIK3CD
Trifluoroacetic Acid SCHEMBL2038097 0.72 PIK3CD (0.49) BCL2PIK3CD

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