SCHEMBL17907161

SCHEMBL17907161

CN1CCN(CCNc2ccc3c(c2)Sc2cccc(-c4cc(N5CCOCC5)cc(=O)[nH]4)c2S3)CC1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ATM Q13315 9/20 0.53
PIK3CA P42336 2/20 0.53
PIK3C3 Q8NEB9 6/20 0.52
PRKDC P78527 2/20 0.41
PIK3CB P42338 1/20 0.39
MTOR P42345 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
TLR9 Q9NR96 2/20 0.35
RPS6KA3 P51812 1/20 0.35
RPS6KA2 Q15349 1/20 0.35
ALDH1A1 P00352 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HTR7 P34969 1/20 0.35

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
SCHEMBL17820554 0.95 ATM (0.51) ATMPIK3CAPIK3C3PRKDCPIK3CB
SCHEMBL17820405 0.92 ATM (0.47) ATMPIK3CAPIK3C3PRKDCPIK3CB
SCHEMBL17820239 0.92 ATM (0.50) ATMPIK3CAPIK3C3PRKDCPIK3CB
SCHEMBL17821078 0.92 ATM (0.50) ATMPIK3CAPIK3C3PRKDCPIK3CB
SCHEMBL17820402 0.92 ATM (0.46) ATMPIK3CAPIK3C3PRKDCPIK3CB
SCHEMBL17820250 0.91 ATM (0.47) ATMPIK3CAPIK3C3PRKDCPIK3CB
SCHEMBL17820576 0.91 ATM (0.51) ATMPIK3CAPIK3C3PRKDCPIK3CB
SCHEMBL17819578 0.90 ATM (0.46) ATMPIK3CAPIK3C3PRKDCPIK3CB
SCHEMBL17819764 0.90 ATM (0.48) ATMPIK3CAPIK3C3PRKDCPIK3CB
SCHEMBL17821114 0.90 ATM (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