SCHEMBL936006

SCHEMBL936006

Cc1cccc2cc(CCNc3nc(Cl)nc4[nH]cnc34)n(-c3ccccc3)c(=O)c12

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 14/20 0.39
PIK3CG P48736 11/20 0.39
PIK3R1 P27986 10/20 0.39
PIK3CA P42336 6/20 0.39
PIK3CB P42338 6/20 0.39
ABCB11 O95342 1/20 0.39
TBXA2R P21731 1/20 0.39
HTR2A P28223 1/20 0.39
PDE3A Q14432 1/20 0.39
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
TSHR P16473 1/20 0.38
CYP2C19 P33261 1/20 0.38
TP53 P04637 1/20 0.34
KCNJ5 P48544 1/20 0.34
KCNJ3 P48549 1/20 0.34

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
SCHEMBL935484 0.90 PIK3R1 (0.41) PIK3CDPIK3CGPIK3R1PIK3CAPIK3CB
SCHEMBL935114 0.90 PIK3CD (0.39) PIK3CDPIK3CGPIK3R1PIK3CAPIK3CB
SCHEMBL935884 0.88 PIK3R1 (0.44) PIK3CDPIK3CGPIK3R1PIK3CAPIK3CB
SCHEMBL935687 0.83 PIK3CD (0.38) PIK3CDPIK3CGPIK3R1PIK3CAPIK3CB
SCHEMBL935671 0.81 PIK3CD (0.51) PIK3CDPIK3CGPIK3R1PIK3CAPIK3CB
SCHEMBL936855 0.81 PIK3CD (0.58) PIK3CDPIK3CGPIK3R1PIK3CAPIK3CB
SCHEMBL936853 0.81 PIK3CD (0.58) PIK3CDPIK3CGPIK3R1PIK3CAPIK3CB
SCHEMBL31594508 0.81 PIK3CD (0.58) PIK3CDPIK3CGPIK3R1PIK3CAPIK3CB
SCHEMBL31594544 0.81 PIK3CD (0.58) PIK3CDPIK3CGPIK3R1PIK3CAPIK3CB
SCHEMBL935803 0.79 PIK3R1 (0.46) PIK3CDPIK3CGPIK3R1PIK3CAPIK3CB

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2456444-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS Intellikine, Inc. (US) 2012-05-30 EP disclosed
WO-2011008302-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE, INC. (US) 2011-01-20 WO disclosed