SCHEMBL17907194

SCHEMBL17907194

Cc1cncc(C(C)Nc2ccc3c(c2)Sc2cccc(-c4cc(N5CCOCC5)cc(=O)[nH]4)c2O3)c1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PIK3C3 Q8NEB9 9/20 0.40
ATM Q13315 1/20 0.40
PRKDC P78527 1/20 0.36
LRRK2 Q5S007 1/20 0.32
PIK3CB P42338 3/20 0.32
SOS1 Q07889 3/20 0.32
SYK P43405 1/20 0.31
RIPK2 O43353 1/20 0.30
AKT1 P31749 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
SCHEMBL17819938 0.91 ATM (0.46) PIK3C3ATMPRKDCPIK3CBRIPK2
SCHEMBL17819611 0.87 PIK3C3 (0.47) PIK3C3ATMPRKDCPIK3CBSOS1
SCHEMBL17819786 0.86 PIK3C3 (0.42) PIK3C3ATMLRRK2PIK3CBSOS1
SCHEMBL17906661 0.86 PIK3C3 (0.41) PIK3C3ATMPRKDCPIK3CBSOS1
SCHEMBL17906603 0.82 ATM (0.45) PIK3C3ATMPRKDCPIK3CBRIPK2
SCHEMBL17828209 0.82 PIK3C3 (0.49) PIK3C3ATMPRKDCPIK3CB
SCHEMBL17906729 0.81 ATM (0.44) PIK3C3ATMPRKDCPIK3CBRIPK2
SCHEMBL17907119 0.79 PIK3C3 (0.40) PIK3C3ATMPRKDCPIK3CBRIPK2
SCHEMBL17819739 0.79 PIK3C3 (0.43) PIK3C3ATMPRKDCLRRK2PIK3CB
SCHEMBL17906793 0.79 PIK3C3 (0.41) PIK3C3ATMPIK3CBSOS1SYK

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