SCHEMBL17906643

SCHEMBL17906643

Cc1cnc(C(CC(C)(C)O)Nc2ccc3c(c2)Sc2cccc(-c4cc(N5CCOCC5)cc(=O)[nH]4)c2S3)cn1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PIK3C3 Q8NEB9 8/20 0.43
ATM Q13315 7/20 0.43
PIK3CA P42336 4/20 0.38
PRKDC P78527 2/20 0.35
ALDH1A1 P00352 2/20 0.34
MAPT P10636 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PIK3CB P42338 1/20 0.34
MTOR P42345 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
RAF1 P04049 1/20 0.31
BRAF P15056 1/20 0.31
NRP1 O14786 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
SCHEMBL17821027 0.91 PIK3C3 (0.46) PIK3C3ATMPIK3CAPRKDCALDH1A1
SCHEMBL17819992 0.89 PIK3C3 (0.44) PIK3C3ATMPIK3CAPRKDCALDH1A1
SCHEMBL17820067 0.89 PIK3C3 (0.44) PIK3C3ATMPIK3CAPRKDCALDH1A1
SCHEMBL17828046 0.89 PIK3C3 (0.44) PIK3C3ATMPIK3CAPRKDCALDH1A1
SCHEMBL17820003 0.88 PIK3C3 (0.43) PIK3C3ATMPIK3CAPRKDCALDH1A1
SCHEMBL17820622 0.88 PIK3C3 (0.43) PIK3C3ATMPIK3CAPRKDCALDH1A1
SCHEMBL17819457 0.88 PIK3C3 (0.48) PIK3C3ATMPIK3CAPRKDCALDH1A1
SCHEMBL17821018 0.88 ATM (0.43) PIK3C3ATMPIK3CAPRKDCALDH1A1
SCHEMBL17906894 0.87 ATM (0.46) PIK3C3ATMPIK3CAPRKDCALDH1A1
SCHEMBL17820398 0.87 ATM (0.43) PIK3C3ATMPIK3CAPRKDCALDH1A1

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