SCHEMBL17907103

SCHEMBL17907103

O=c1cc(N2CCOCC2)cc(-c2cccc3c2Oc2ccc(NCc4cncc(C5CC5)c4)cc2S3)[nH]1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PIK3C3 Q8NEB9 10/20 0.39
ATM Q13315 5/20 0.39
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 0.36
ALOX12 P18054 1/20 0.36
HTT P42858 1/20 0.36
PRKDC P78527 1/20 0.35
AKT1 P31749 1/20 0.34
BTK Q06187 1/20 0.33
PIK3CA P42336 3/20 0.33
PIK3CB P42338 3/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
ATR Q13535 1/20 0.32

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
SCHEMBL17820610 0.90 PIK3C3 (0.41) PIK3C3ATMKDM4EMAPTALOX12
SCHEMBL17906624 0.90 PIK3C3 (0.44) PIK3C3ATMKDM4EMAPTALOX12
SCHEMBL17907186 0.90 PIK3C3 (0.40) PIK3C3ATMKDM4EMAPTALOX12
SCHEMBL17906698 0.88 PIK3C3 (0.39) PIK3C3ATMKDM4EMAPTALOX12
SCHEMBL17821069 0.88 ATM (0.47) PIK3C3ATMKDM4EMAPTALOX12
SCHEMBL17819505 0.88 PIK3C3 (0.40) PIK3C3ATMKDM4EMAPTALOX12
SCHEMBL17819708 0.87 CLK1 (0.41) PIK3C3ATMKDM4EMAPTALOX12
SCHEMBL17906962 0.87 PIK3C3 (0.38) PIK3C3ATMKDM4EMAPTALOX12
SCHEMBL17906721 0.86 PIK3C3 (0.37) PIK3C3ATMKDM4EMAPTALOX12
SCHEMBL17820452 0.85 ATM (0.39) PIK3C3ATMKDM4EMAPTALOX12

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