SCHEMBL20141810

SCHEMBL20141810

CC1CN(c2cccc3cn[nH]c23)C(C(C)(C)C)CN1C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC16A3 O15427 1/20 0.38
SLC16A1 P53985 1/20 0.38
CDK5 Q00535 2/20 0.37
PLK4 O00444 1/20 0.37
CHEK1 O14757 1/20 0.37
AURKA O14965 1/20 0.37
DAPK3 O43293 1/20 0.37
MAP4K4 O95819 1/20 0.37
CSF1R P07333 1/20 0.37
RET P07949 1/20 0.37
FGFR1 P11362 1/20 0.37
PDGFRA P16234 1/20 0.37
LTK P29376 1/20 0.37
KDR P35968 1/20 0.37
MAP2K2 P36507 1/20 0.37
FLT3 P36888 1/20 0.37
CSNK1A1 P48729 1/20 0.37
PRKX P51817 1/20 0.37
MAP2K1 Q02750 1/20 0.37
MST1R Q04912 1/20 0.37

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
SCHEMBL20141654 0.72 HDAC1 (0.47) MAP4K4HTR1A
SCHEMBL20141652 0.72 HDAC1 (0.47) MAP4K4HTR1A
SCHEMBL20141470 0.71 SLC16A3 (0.32) SLC16A3SLC16A1
SCHEMBL20141435 0.65 HTR1A (0.44) ROCK1NOS1HTR1ACYP3A4
SCHEMBL20141437 0.65 HTR1A (0.44) ROCK1NOS1HTR1ACYP3A4
SCHEMBL28809309 0.65 ALDH1A1 (0.45) HCRTR1HCRTR2KDM4EMAPTTHRB
SCHEMBL22337746 0.63 PIK3CD (0.41) CDK5PLK4CHEK1AURKADAPK3
SCHEMBL17738375 0.63 ALDH1A1 (0.56) CDK5PLK4CHEK1AURKADAPK3
SCHEMBL20142570 0.62 KEAP1 (0.38) HCRTR1HCRTR2
SCHEMBL4558300 0.61 SLC6A9 (0.44) HTR1AKDM4ECYP1A2HPGDTSHR

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