SCHEMBL17907207

SCHEMBL17907207

CNCc1cccc(C(C)Nc2ccc3c(c2)Sc2cccc(-c4cc(N5CCOCC5)cc(=O)[nH]4)c2S3)n1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ATM Q13315 7/20 0.46
PIK3C3 Q8NEB9 7/20 0.46
PIK3CA P42336 3/20 0.38
PRKDC P78527 2/20 0.37
PIK3CB P42338 2/20 0.35
MTOR P42345 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
SOS1 Q07889 6/20 0.34
PIK3CD O00329 1/20 0.32
CYP3A4 P08684 1/20 0.32
PIK3CG P48736 1/20 0.32
AKT1 P31749 1/20 0.32

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
SCHEMBL17906757 0.91 ATM (0.45) ATMPIK3C3PIK3CAPRKDCPIK3CB
SCHEMBL17820649 0.91 PIK3C3 (0.48) ATMPIK3C3PIK3CAPRKDCPIK3CB
SCHEMBL17819453 0.90 ATM (0.44) ATMPIK3C3PIK3CAPRKDCPIK3CB
SCHEMBL17819954 0.90 ATM (0.44) ATMPIK3C3PIK3CAPRKDCPIK3CB
SCHEMBL17820226 0.90 ATM (0.45) ATMPIK3C3PIK3CAPRKDCPIK3CB
SCHEMBL17821107 0.90 ATM (0.44) ATMPIK3C3PIK3CAPRKDCPIK3CB
SCHEMBL17820152 0.86 PIK3C3 (0.47) ATMPIK3C3PIK3CAPRKDCPIK3CB
SCHEMBL17821067 0.85 PIK3C3 (0.46) ATMPIK3C3PIK3CAPRKDCPIK3CB
SCHEMBL17820318 0.85 ATM (0.44) ATMPIK3C3PIK3CAPRKDCPIK3CB
SCHEMBL17820459 0.85 ATM (0.46) ATMPIK3C3PIK3CAPRKDCPIK3CB

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
EP-3042900-A1 NOVEL MORPHOLINE DERIVATIVE OR SALT THEREOF Fujifilm Corporation (JP) 2016-07-13 EP disclosed