SCHEMBL29611832

SCHEMBL29611832

CC1CN(C(=O)OC(C)(C)C)CCC1c1ncnc2cc(Br)cnc12

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 12/20 0.41
PIK3CA P42336 2/20 0.40
PIK3CB P42338 2/20 0.40
PIK3CG P48736 2/20 0.40
FNTA P49354 1/20 0.40
FNTB P49356 1/20 0.40
IDO1 P14902 1/20 0.40
TDO2 P48775 1/20 0.40
MAPK7 Q13164 1/20 0.40
GPR119 Q8TDV5 2/20 0.39
MAP4K4 O95819 1/20 0.38
USP30 Q70CQ3 1/20 0.38
HPGDS O60760 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
SCHEMBL29611488 0.86 MAPK7 (0.48) FNTAFNTBMAPK7GPR119MAP4K4
SCHEMBL29611184 0.84 MAPK7 (0.53) PIK3CDPIK3CAPIK3CBPIK3CGMAPK7
SCHEMBL21332047 0.75 MAPK7 (0.64) MAPK7GPR119
SCHEMBL21331983 0.74 MAPK7 (0.48) MAPK7GPR119MAP4K4HPGDS
SCHEMBL30366132 0.72 USP30 (0.42) PIK3CDGPR119USP30
SCHEMBL30186806 0.72 HCAR1 (0.52) FNTAFNTBGPR119
SCHEMBL30899638 0.72 USP30 (0.46) PIK3CDGPR119USP30HPGDS
SCHEMBL29611192 0.70 USP30 (0.46) PIK3CDIDO1TDO2GPR119USP30
SCHEMBL21339642 0.70 MAPK7 (0.65) MAPK7GPR119MAP4K4
SCHEMBL12847405 0.69 GPR119 (0.50) IDO1TDO2GPR119USP30HPGDS

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