SCHEMBL20141817

SCHEMBL20141817

COC(=O)c1cc(-c2nnc3cnccn23)c(C)cc1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.40
GAA P10253 2/20 0.40
SLC2A1 P11166 1/20 0.38
MAPK13 O15264 1/20 0.36
KDM4E B2RXH2 4/20 0.36
ALDH1A1 P00352 2/20 0.36
GLA P06280 1/20 0.36
MAPK14 Q16539 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
PDE2A O00408 1/20 0.35
CYP46A1 Q9Y6A2 1/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
CFTR P13569 1/20 0.34
LMNA P02545 2/20 0.33
POLB P06746 1/20 0.33
DRD1 P21728 1/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL15818525 0.71 SLC2A1 (0.64) SLC2A1KDM4EALDH1A1KMT2ACYP46A1
SCHEMBL2021978 0.67 FLT1 (0.45) MAPTGAAKDM4EALDH1A1MEN1
SCHEMBL14315496 0.67 MAPK14 (0.54) MAPTGAAMAPK13KDM4EALDH1A1
SCHEMBL3187202 0.66 KDM4E (0.48) MAPTGAAKDM4EALDH1A1GLA
SCHEMBL18357422 0.65 DAPK3 (0.41) MAPTGAAKDM4EALDH1A1GLA
SCHEMBL3207481 0.65 MAPT (0.47) MAPTGAAKDM4EALDH1A1GLA
SCHEMBL2430255 0.65 KDM4E (0.50) MAPTGAAKDM4EALDH1A1GLA
SCHEMBL20140774 0.64 GSK3B (0.38) MAPTKDM4EALDH1A1MEN1KMT2A
SCHEMBL30980408 0.64 ALDH1A1 (0.41) GAAKDM4EALDH1A1GLAMEN1
SCHEMBL18420354 0.62 HTR2A (0.43) MAPTSLC2A1KDM4EALDH1A1MEN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018089433-A1 PHENYL mTORC INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. (US) 2018-05-17 WO disclosed
WO-2018089433-A1 PHENYL mTORC INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. (US) 2018-05-17 WO disclosed