SCHEMBL17907135

SCHEMBL17907135

CC(CCN1CCN(C)CC1)Nc1ccc2c(c1)Sc1cccc(-c3cc(N4CCOCC4)cc(=O)[nH]3)c1S2

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ATM Q13315 13/20 0.51
PIK3CA P42336 3/20 0.51
PIK3C3 Q8NEB9 10/20 0.50
PRKDC P78527 4/20 0.39
PIK3CB P42338 2/20 0.38
MTOR P42345 2/20 0.38
HDAC6 Q9UBN7 1/20 0.38
ALDH1A1 P00352 1/20 0.34
ATR Q13535 1/20 0.33

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
SCHEMBL17820231 0.96 PIK3C3 (0.50) ATMPIK3CAPIK3C3PRKDCPIK3CB
SCHEMBL17819966 0.95 ATM (0.49) ATMPIK3CAPIK3C3PRKDCPIK3CB
SCHEMBL17819772 0.94 ATM (0.50) ATMPIK3CAPIK3C3PRKDCPIK3CB
SCHEMBL17819649 0.89 PIK3C3 (0.51) ATMPIK3CAPIK3C3PRKDCPIK3CB
SCHEMBL17819889 0.89 PIK3C3 (0.51) ATMPIK3CAPIK3C3PRKDCPIK3CB
SCHEMBL17819636 0.89 ATM (0.51) ATMPIK3CAPIK3C3PRKDCPIK3CB
SCHEMBL17820043 0.89 PIK3C3 (0.49) ATMPIK3CAPIK3C3PRKDCPIK3CB
SCHEMBL17820040 0.89 PIK3C3 (0.49) ATMPIK3CAPIK3C3PRKDCPIK3CB
SCHEMBL17907161 0.89 ATM (0.53) ATMPIK3CAPIK3C3PRKDCPIK3CB
SCHEMBL17828012 0.88 PIK3C3 (0.51) ATMPIK3CAPIK3C3PRKDCPIK3CB

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