SCHEMBL29100779

SCHEMBL29100779

CC(C)(C)OC(=O)N(c1ccccn1)c1ncccn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.43
HTT P42858 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
TP53 P04637 1/20 0.40
MAPT P10636 3/20 0.39
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
RECQL P46063 1/20 0.39
BLM P54132 1/20 0.39
MCL1 Q07820 1/20 0.39
CTDSP1 Q9GZU7 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
GPR119 Q8TDV5 1/20 0.38
PTGIR P43119 1/20 0.38
LMNA P02545 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 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
SCHEMBL30676280 0.84 POLB (0.46) POLBHTTNPSR1MAPTKMT2A
SCHEMBL15390791 0.84 POLB (0.46) POLBHTTNPSR1MAPTKMT2A
SCHEMBL29837150 0.83 POLB (0.39) POLBHTTNPSR1TP53MAPT
SCHEMBL19512762 0.83 L3MBTL1 (0.42) NPSR1KMT2AMEN1KDM4ETDP1
SCHEMBL29659142 0.83 POLB (0.44) POLBHTTNPSR1MAPTKMT2A
SCHEMBL6601505 0.83 POLB (0.44) POLBHTTNPSR1MAPTKMT2A
SCHEMBL8126885 0.81 POLB (0.47) POLBHTTNPSR1TP53MAPT
SCHEMBL27845772 0.78 POLB (0.38) POLBHTTNPSR1TP53MAPT
Alcohol SCHEMBL27538721 0.78 POLB (0.44) POLBHTTMAPTKMT2AMEN1
SCHEMBL7500028 0.77 POLB (0.52) POLBHTTTP53KMT2AMEN1

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
CN-116981667-A Heterocyclic inhibitors of EGFR and/or HER2 for cancer treatment 蝎子疗法股份有限公司 2023-10-31 CN disclosed