SCHEMBL17906809

SCHEMBL17906809

Cc1cccc(C(CCN2CCCC2)Nc2ccc3c(c2)Sc2cccc(-c4cc(N5CCOCC5)cc(=O)[nH]4)c2S3)n1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ATM Q13315 12/20 0.43
PIK3C3 Q8NEB9 7/20 0.43
PIK3CA P42336 2/20 0.41
PRKDC P78527 2/20 0.35
PIK3CB P42338 1/20 0.34
MTOR P42345 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
NRP1 O14786 1/20 0.31
ALDH1A1 P00352 1/20 0.30
ATR Q13535 1/20 0.30

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
SCHEMBL17906798 0.97 PIK3C3 (0.44) ATMPIK3C3PIK3CAPRKDCPIK3CB
SCHEMBL17906613 0.91 ATM (0.45) ATMPIK3C3PIK3CAPRKDCPIK3CB
SCHEMBL17819417 0.91 PIK3C3 (0.44) ATMPIK3C3PIK3CAPRKDCPIK3CB
SCHEMBL17820168 0.91 PIK3C3 (0.47) ATMPIK3C3PIK3CAPRKDCPIK3CB
SCHEMBL17819528 0.91 ATM (0.47) ATMPIK3C3PIK3CAPRKDCPIK3CB
SCHEMBL17821018 0.90 ATM (0.43) ATMPIK3C3PIK3CAPRKDCPIK3CB
SCHEMBL17820943 0.90 ATM (0.44) ATMPIK3C3PIK3CAPRKDCPIK3CB
SCHEMBL17820459 0.89 ATM (0.46) ATMPIK3C3PIK3CAPRKDCPIK3CB
SCHEMBL22436258 0.89 ATM (0.43) ATMPIK3C3PIK3CAPRKDCPIK3CB
SCHEMBL17820067 0.89 PIK3C3 (0.44) 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