SCHEMBL17907011

SCHEMBL17907011

Cc1ccnc(C(CF)Nc2ccc3c(c2)Sc2cccc(-c4cc(N5CCOCC5)cc(=O)[nH]4)c2S3)c1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ATM Q13315 10/20 0.46
PIK3C3 Q8NEB9 8/20 0.46
PIK3CA P42336 3/20 0.38
PRKDC P78527 2/20 0.37
PIK3CB P42338 2/20 0.35
MTOR P42345 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
PIK3CD O00329 1/20 0.32
AKT1 P31749 1/20 0.32
PIK3CG P48736 1/20 0.32
WDR5 P61964 1/20 0.32
PIK3R2 O00459 1/20 0.31

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
SCHEMBL17820760 0.94 ATM (0.46) ATMPIK3C3PIK3CAPRKDCPIK3CB
SCHEMBL17820407 0.92 ATM (0.45) ATMPIK3C3PIK3CAPRKDCPIK3CB
SCHEMBL17820481 0.91 PIK3C3 (0.47) ATMPIK3C3PIK3CAPRKDCPIK3CB
SCHEMBL17906607 0.90 ATM (0.46) ATMPIK3C3PIK3CAPRKDCPIK3CB
SCHEMBL17820790 0.89 ATM (0.45) ATMPIK3C3PIK3CAPRKDCPIK3CB
SCHEMBL17907084 0.88 PIK3C3 (0.45) ATMPIK3C3PIK3CAPRKDCPIK3CB
SCHEMBL17828023 0.86 ATM (0.41) ATMPIK3C3PIK3CAPRKDCPIK3CB
SCHEMBL17906623 0.85 ATM (0.46) ATMPIK3C3PIK3CAPRKDCPIK3CB
SCHEMBL17906953 0.85 ATM (0.46) ATMPIK3C3PIK3CAPRKDCPIK3CB
SCHEMBL17820168 0.84 PIK3C3 (0.47) 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