SCHEMBL17907222

SCHEMBL17907222

CNc1ncc(CNc2ccc3c(c2)Sc2cccc(-c4cc(N5CCOCC5)cc(=O)[nH]4)c2S3)cn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 7/20 0.48
PIK3C3 Q8NEB9 4/20 0.48
PIK3CA P42336 6/20 0.40
PRKDC P78527 2/20 0.39
PIK3CB P42338 3/20 0.38
MTOR P42345 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
NTRK1 P04629 1/20 0.35
GAA P10253 2/20 0.35
KDM4E B2RXH2 2/20 0.35
MAPT P10636 2/20 0.35
ALOX12 P18054 2/20 0.35
HTT P42858 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35
TTK P33981 1/20 0.35
JAK3 P52333 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
SCHEMBL17907148 0.92 ATM (0.47) ATMPIK3C3PIK3CAPRKDCPIK3CB
SCHEMBL17906628 0.91 ATM (0.52) ATMPIK3C3PIK3CAPRKDCPIK3CB
SCHEMBL17819818 0.90 ATM (0.48) ATMPIK3C3PIK3CAPRKDCPIK3CB
SCHEMBL17820841 0.90 ATM (0.44) ATMPIK3C3PIK3CAPRKDCPIK3CB
SCHEMBL17907014 0.89 ATM (0.46) ATMPIK3C3PIK3CAPRKDCPIK3CB
SCHEMBL17906973 0.89 ATM (0.42) ATMPIK3C3PIK3CAPRKDCPIK3CB
SCHEMBL17819908 0.88 ATM (0.51) ATMPIK3C3PIK3CAPRKDCPIK3CB
SCHEMBL17906690 0.87 ATM (0.48) ATMPIK3C3PIK3CAPRKDCPIK3CB
SCHEMBL17820608 0.87 ATM (0.47) ATMPIK3C3PIK3CAPRKDCPIK3CB
SCHEMBL17906711 0.87 PIK3C3 (0.41) 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