SCHEMBL17907166

SCHEMBL17907166

CC(CN1CCO[C@@H](C)C1)Nc1ccc2c(c1)Sc1cccc(-c3cc(N4CCOCC4)cc(=O)[nH]3)c1S2

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ATM Q13315 12/20 0.46
PIK3C3 Q8NEB9 11/20 0.46
PIK3CA P42336 3/20 0.39
PRKDC P78527 4/20 0.37
PIK3CB P42338 2/20 0.35
MTOR P42345 2/20 0.35
HDAC6 Q9UBN7 1/20 0.35
ATR Q13535 1/20 0.35
KDM1A O60341 1/20 0.34

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
SCHEMBL17906681 0.93 ATM (0.51) ATMPIK3C3PIK3CAPRKDCPIK3CB
SCHEMBL17906955 0.93 ATM (0.51) ATMPIK3C3PIK3CAPRKDCPIK3CB
SCHEMBL17819636 0.92 ATM (0.51) ATMPIK3C3PIK3CAPRKDCPIK3CB
SCHEMBL17906659 0.90 ATM (0.46) ATMPIK3C3PIK3CAPRKDCPIK3CB
SCHEMBL17821035 0.89 ATM (0.49) ATMPIK3C3PIK3CAPRKDCPIK3CB
SCHEMBL17820212 0.89 ATM (0.49) ATMPIK3C3PIK3CAPRKDCPIK3CB
SCHEMBL17820231 0.88 PIK3C3 (0.50) ATMPIK3C3PIK3CAPRKDCPIK3CB
SCHEMBL17821066 0.88 ATM (0.48) ATMPIK3C3PIK3CAPRKDCPIK3CB
SCHEMBL17819743 0.88 PIK3C3 (0.48) ATMPIK3C3PIK3CAPRKDCPIK3CB
SCHEMBL17819772 0.88 ATM (0.50) 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