SCHEMBL10197131

SCHEMBL10197131

CCN1c2cc(NC(=O)c3cc(OCCc4ccccn4)nc(N4CCOCC4)n3)ccc2C2C=CC=CC21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 4/20 0.39
PIK3CG P48736 3/20 0.39
PIK3CB P42338 2/20 0.39
GRM4 Q14833 2/20 0.38
MAPK14 Q16539 3/20 0.37
SMO Q99835 1/20 0.37
NAPEPLD Q6IQ20 1/20 0.37
TYK2 P29597 2/20 0.37
SYK P43405 2/20 0.37
IRAK4 Q9NWZ3 2/20 0.37
BRSK1 Q8TDC3 1/20 0.37
FES P07332 1/20 0.36
FER P16591 1/20 0.36
FRK P42685 1/20 0.36
CAMK1D Q8IU85 1/20 0.36
PIKFYVE Q9Y2I7 1/20 0.36
ALDH1A1 P00352 1/20 0.36
DGAT1 O75907 1/20 0.36
MTOR P42345 2/20 0.35
RAF1 P04049 1/20 0.35

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
SCHEMBL428720 0.81 TYK2 (0.49) PIK3CAPIK3CGPIK3CBMAPK14SMO
SCHEMBL5483800 0.81 PIK3CA (0.47) PIK3CAPIK3CGPIK3CBGRM4MAPK14
SCHEMBL426412 0.81 PIK3CA (0.45) PIK3CAPIK3CGPIK3CBGRM4MAPK14
SCHEMBL427331 0.80 GRM4 (0.45) PIK3CAPIK3CGPIK3CBGRM4MAPK14
SCHEMBL427044 0.79 PIK3CA (0.44) PIK3CAPIK3CGPIK3CBGRM4MAPK14
SCHEMBL430156 0.77 PIK3CA (0.44) PIK3CAPIK3CGPIK3CBGRM4MAPK14
SCHEMBL427231 0.77 NPC1 (0.44) PIK3CAPIK3CGPIK3CBGRM4MAPK14
SCHEMBL425757 0.76 PIK3CA (0.46) PIK3CAPIK3CGPIK3CBNAPEPLDTYK2
SCHEMBL425546 0.76 PIK3CA (0.41) PIK3CAPIK3CGPIK3CBGRM4MAPK14
SCHEMBL426413 0.76 PIK3CA (0.47) PIK3CAPIK3CGPIK3CBNAPEPLDTYK2

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-20120021434-A1 METHOD FOR TREATING B CELL REGULATED AUTOIMMUNE DISORDERS SYNTA PHARMACEUTICALS CORP. (US) 2012-01-26 US disclosed