SCHEMBL20156966

SCHEMBL20156966

CCOC(=O)c1cc(-c2nnc3n2CCNC3)c(C)cc1C

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.41
ALDH1A1 P00352 3/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
LMNA P02545 2/20 0.37
MAPT P10636 1/20 0.36
PLAT P00750 1/20 0.35
DYRK1A Q13627 2/20 0.35
GSK3B P49841 1/20 0.35
TP53 P04637 1/20 0.35
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
KCNK3 O14649 1/20 0.34
MAP3K5 Q99683 1/20 0.34
MAPK10 P53779 1/20 0.33
ADORA3 P0DMS8 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
SCHEMBL20140774 0.89 GSK3B (0.38) HPGDALDH1A1MAPTPLATDYRK1A
SCHEMBL110825 0.76 MGLL (0.42) ALDH1A1MAPTMEN1KMT2A
SCHEMBL14962437 0.69 MGLL (0.41) ALDH1A1LMNAMAPTDYRK1AGSK3B
SCHEMBL26125901 0.69 PDCD1 (0.38) HPGDLMNADYRK1AGSK3B
SCHEMBL3434128 0.67 RAB9A (0.48) HPGDALDH1A1MAPTTP53MEN1
SCHEMBL929672 0.67 PDCD1 (0.43) HPGDALDH1A1TP53KMT2A
Hydrochloric Acid SCHEMBL16741194 0.66 PDCD1 (0.43) HPGDALDH1A1MAPTTP53MEN1
Hydrochloric Acid SCHEMBL2753179 0.66 PDCD1 (0.43) HPGDALDH1A1MAPTTP53MEN1
SCHEMBL2753115 0.65 KDM5B (0.38) HPGDALDH1A1L3MBTL1MAPTTP53
Hypochlorous Acid SCHEMBL3087241 0.65 SMO (0.43) HPGDALDH1A1KMT2A

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