SCHEMBL17907125

SCHEMBL17907125

CC(CN1CCN(C(C)C)CC1)Nc1ccc2c(c1)Sc1cccc(-c3cc(N4CCOCC4)cc(=O)[nH]3)c1S2

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PIK3C3 Q8NEB9 10/20 0.48
ATM Q13315 9/20 0.48
PIK3CA P42336 3/20 0.43
PRKDC P78527 3/20 0.39
PIK3CB P42338 2/20 0.37
MTOR P42345 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
PIK3CD O00329 1/20 0.32
PIK3R1 P27986 1/20 0.32
PIK3CG P48736 1/20 0.32
AKT1 P31749 1/20 0.32
ALDH1A1 P00352 2/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
ALOX12 P18054 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
SCHEMBL17819636 0.95 ATM (0.51) PIK3C3ATMPIK3CAPRKDCPIK3CB
SCHEMBL17821066 0.93 ATM (0.48) PIK3C3ATMPIK3CAPRKDCPIK3CB
SCHEMBL17819772 0.93 ATM (0.50) PIK3C3ATMPIK3CAPRKDCPIK3CB
SCHEMBL17820212 0.93 ATM (0.49) PIK3C3ATMPIK3CAPRKDCPIK3CB
SCHEMBL17821035 0.93 ATM (0.49) PIK3C3ATMPIK3CAPRKDCPIK3CB
SCHEMBL17819743 0.92 PIK3C3 (0.48) PIK3C3ATMPIK3CAPRKDCPIK3CB
SCHEMBL17820361 0.91 ATM (0.48) PIK3C3ATMPIK3CAPRKDCPIK3CB
SCHEMBL17820036 0.91 ATM (0.46) PIK3C3ATMPIK3CAPRKDCPIK3CB
SCHEMBL17820796 0.91 ATM (0.46) PIK3C3ATMPIK3CAPRKDCPIK3CB
SCHEMBL17906826 0.89 ATM (0.47) PIK3C3ATMPIK3CAPRKDCPIK3CB

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