SCHEMBL16596152

SCHEMBL16596152

Cc1cc2cccc(Cl)c2c(=O)n1-c1cccc(F)c1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 9/20 0.47
NOTUM Q6P988 2/20 0.46
PIK3R1 P27986 1/20 0.41
KDM4E B2RXH2 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
PIK3R2 O00459 2/20 0.41
PIK3CG P48736 6/20 0.39
PIK3CA P42336 1/20 0.39
PIK3CB P42338 1/20 0.39
FAAH O00519 1/20 0.39
MGLL Q99685 1/20 0.39
METAP2 P50579 1/20 0.38
MPI P34949 1/20 0.38
MAPT P10636 1/20 0.38
MEN1 O00255 1/20 0.37
POLB P06746 1/20 0.37
KMT2A Q03164 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 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
SCHEMBL16596184 0.92 PIK3CD (0.45) PIK3CDNOTUMPIK3R1KDM4ENPSR1
SCHEMBL16596148 0.86 NOTUM (0.48) PIK3CDNOTUMKDM4ENPSR1FAAH
SCHEMBL16596147 0.86 NOTUM (0.48) NOTUMKDM4ENPSR1PIK3CGPIK3CB
SCHEMBL22237967 0.86 ALDH1A1 (0.50) PIK3CDNOTUMKDM4ENPSR1PIK3R2
SCHEMBL16596143 0.86 PIK3CD (0.48) PIK3CDPIK3R1KDM4ENPSR1PIK3R2
SCHEMBL12943784 0.84 PIK3CD (0.43) PIK3CDNOTUMPIK3R1PIK3R2PIK3CG
SCHEMBL16591271 0.83 PIK3CD (0.55) PIK3CDPIK3R1PIK3R2PIK3CGPIK3CA
SCHEMBL179610 0.81 PIK3CD (0.54) PIK3CDPIK3R1PIK3R2PIK3CGPIK3CA
SCHEMBL16583965 0.81 PIK3CD (0.54) PIK3CDPIK3R1PIK3R2PIK3CGPIK3CA
SCHEMBL18885591 0.81 MAPK14 (0.46) PIK3CDNOTUMPIK3R2PIK3CGL3MBTL1

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
US-9657007-B2 Substituted aminopyrimidine compounds and methods of use CALITOR SCIENCES, LLC (US) 2017-05-23 US disclosed
WO-2015042078-A2 SUBSTITUTED AMINOPYRIMIDINE COMPOUNDS AND METHODS OF USE CALITOR SCIENCES, LLC (US) 2015-03-26 WO disclosed