SCHEMBL29611488

SCHEMBL29611488

CC(C)(C)OC(=O)N1CCC(c2ncnc3cc(Br)cnc23)CC1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK7 Q13164 6/20 0.48
KDM4E B2RXH2 1/20 0.45
MAPT P10636 1/20 0.45
THRB P10828 1/20 0.45
GPR119 Q8TDV5 9/20 0.43
HPGDS O60760 1/20 0.43
JAK2 O60674 1/20 0.42
JAK1 P23458 1/20 0.42
TYK2 P29597 1/20 0.42
JAK3 P52333 1/20 0.42
SLC2A1 P11166 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
FNTA P49354 1/20 0.42
FNTB P49356 1/20 0.42
MAP4K4 O95819 1/20 0.41

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
SCHEMBL21331983 0.88 MAPK7 (0.48) MAPK7KDM4EMAPTTHRBGPR119
SCHEMBL21332047 0.86 MAPK7 (0.64) MAPK7KDM4EMAPTTHRBGPR119
SCHEMBL29611832 0.86 PIK3CD (0.41) MAPK7GPR119HPGDSFNTAFNTB
SCHEMBL21339642 0.83 MAPK7 (0.65) MAPK7KDM4EMAPTTHRBGPR119
SCHEMBL29611125 0.81 MAPK7 (0.54) MAPK7KDM4EMAPTTHRBGPR119
SCHEMBL16637780 0.77 MAPK7 (0.47) MAPK7KDM4EMAPTTHRBGPR119
SCHEMBL30186806 0.77 HCAR1 (0.52) KDM4EMAPTTHRBGPR119FNTA
SCHEMBL24312866 0.77 GPR119 (0.57) KDM4EMAPTTHRBGPR119HPGDS
SCHEMBL3568241 0.76 MAPK7 (0.52) MAPK7KDM4EMAPTTHRBGPR119
SCHEMBL21332138 0.76 MAPK7 (0.62) MAPK7KDM4EMAPTTHRBGPR119

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-2022051565-A1 SUBSTITUTED 4-PIPERIDINYL-QUINAZOLINES, 4-PIPERIDINYL-PYRIMIDINE-2-AMINES, AND RELATED COMPOUNDS AND THEIR USE IN TREATING MEDICAL CONDITIONS Ikena Oncology, Inc. (US) 2022-03-10 WO disclosed