SCHEMBL20140774

SCHEMBL20140774

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

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 5/20 0.38
DYRK1A Q13627 5/20 0.38
MAP3K5 Q99683 1/20 0.36
KDM4E B2RXH2 3/20 0.35
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
MGLL Q99685 1/20 0.33
CHRM3 P20309 1/20 0.33
HPGD P15428 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
WNT1 P04628 4/20 0.32
PLAT P00750 1/20 0.32
P2RX7 Q99572 1/20 0.32
OPRD1 P41143 1/20 0.31
SLC6A3 Q01959 1/20 0.31
POLB P06746 1/20 0.31
THRB P10828 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
SCHEMBL20156966 0.89 HPGD (0.41) GSK3BDYRK1AMAP3K5KMT2AMEN1
SCHEMBL20141285 0.71 KDM4E (0.40) KDM4EKMT2AHPGDALDH1A1P2RX7
SCHEMBL19282175 0.67 HTR3E (0.47) KDM4EKMT2AMEN1HPGDALDH1A1
SCHEMBL19559109 0.67 FASN (0.54)
SCHEMBL26125901 0.65 PDCD1 (0.38) GSK3BDYRK1AHPGD
SCHEMBL3187202 0.65 KDM4E (0.48) KDM4EHPGDALDH1A1MAPTTDP1
SCHEMBL110825 0.64 MGLL (0.42) KDM4EKMT2AMEN1MGLLALDH1A1
SCHEMBL20036994 0.64 KDM4E (0.43) KDM4EKMT2AMEN1ALDH1A1
SCHEMBL20141817 0.64 MAPT (0.40) KDM4EKMT2AMEN1ALDH1A1MAPT
SCHEMBL14863278 0.64 HPGD (0.55) GSK3BDYRK1AKDM4EKMT2AMEN1

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