SCHEMBL22146337

SCHEMBL22146337

CNc1c(C)nc2cc(OC)ccn12

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
TSHR P16473 1/20 0.42
GAA P10253 2/20 0.39
MAPT P10636 2/20 0.39
METTL3 Q86U44 1/20 0.38
PDE10A Q9Y233 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
ADORA3 P0DMS8 3/20 0.37
CREBBP Q92793 4/20 0.36
BRD4 O60885 2/20 0.36
FLT3 P36888 1/20 0.36
AKT1 P31749 1/20 0.36
AKT2 P31751 1/20 0.36
HTT P42858 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL22145961 0.81 ALDH1A1 (0.44) ALDH1A1GAAMAPTMETTL3ADORA3
SCHEMBL22153369 0.80 PDE10A (0.46) ALDH1A1LMNAMETTL3PDE10AADORA3
SCHEMBL28842726 0.80 ALDH1A1 (0.60) ALDH1A1LMNATSHRGAAMAPT
SCHEMBL7977849 0.78 PDE10A (0.39) ALDH1A1METTL3PDE10AADORA3FLT3
SCHEMBL22145955 0.75 ALDH1A1 (0.42) ALDH1A1LMNATSHRGAAMAPT
SCHEMBL22152284 0.75 ADORA3 (0.38) ALDH1A1METTL3PDE10ANPSR1ADORA3
SCHEMBL4801122 0.74 ALDH1A1 (0.46) ALDH1A1LMNAMAPTMETTL3PDE10A
SCHEMBL23414771 0.73 KDM4E (0.66) ALDH1A1LMNAGAAMAPTMETTL3
SCHEMBL17541072 0.73 APP (0.51) ALDH1A1GAAMAPTMEN1KMT2A
SCHEMBL23414909 0.73 TDP1 (0.43) ALDH1A1METTL3ADORA3

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-2020124397-A1 C-TERMINAL SRC KINASE INHIBITORS INVENTISBIO SHANGHAI LTD. (CN) 2020-06-25 WO disclosed
WO-2020125615-A1 C-TERMINAL SRC KINASE INHIBITORS INVENTISBIO SHANGHAI LTD. (CN) 2020-06-25 WO disclosed