SCHEMBL27299043

SCHEMBL27299043

CC(C)N(C)c1ccc(C(N)c2ccccc2)cn1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.35
AR P10275 3/20 0.35
PGR P06401 1/20 0.35
AOC3 Q16853 2/20 0.34
PDE10A Q9Y233 1/20 0.34
ADRA2A P08913 1/20 0.33
ADRA2C P18825 1/20 0.33
NUDT1 P36639 1/20 0.33
AKT2 P31751 1/20 0.33
LMNA P02545 1/20 0.33
HIF1A Q16665 1/20 0.33
KDM4E B2RXH2 1/20 0.33
HTR2A P28223 1/20 0.33
HRH1 P35367 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
SCHEMBL3382791 0.85 KDM1A (0.40) AKT2
SCHEMBL22387918 0.75 PDE10A (0.37) PDE10A
SCHEMBL29908263 0.73 DPP4 (0.38) ADRA2AADRA2CAKT2LMNAHIF1A
SCHEMBL22927815 0.73 DPP4 (0.38) ADRA2AADRA2CAKT2LMNAHIF1A
SCHEMBL2791956 0.71 PDE10A (0.39) PDE10AADRA2AADRA2CKDM4E
SCHEMBL31473371 0.71 PDE10A (0.39) AOC3PDE10A
SCHEMBL27299154 0.71 PDE10A (0.39) AOC3PDE10A
SCHEMBL3386704 0.69 AKT2 (0.41) ADRA2AADRA2CAKT2LMNAHIF1A
SCHEMBL14808807 0.69 DPP4 (0.38) AKT2HTR2A
SCHEMBL3382818 0.69 CYP3A4 (0.42) AKT2

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
CN-119866333-A KIT inhibitors, compounds, pharmaceutical compositions, and methods of use thereof 亚力维克希斯股份有限公司 2025-04-22 CN disclosed
WO-2024029489-A1 KIT INHIBITORS, COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF MODULUS DISCOVERY, INC. (JP) 2024-02-08 WO disclosed