SCHEMBL29286246

SCHEMBL29286246

CC(C)(C)OC(=O)N1CCC(C(=O)c2cnc(-c3cccc(CO)c3)nc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 3/20 0.48
STS P08842 4/20 0.48
GPR119 Q8TDV5 6/20 0.47
USP30 Q70CQ3 3/20 0.44
PTPN2 P17706 1/20 0.44
PTPN1 P18031 1/20 0.44
PTPN6 P29350 1/20 0.44
KDM4E B2RXH2 1/20 0.41
PKM P14618 1/20 0.41
KMT2A Q03164 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
SCHEMBL12547054 0.85 HPGDS (0.48) HPGDSGPR119
SCHEMBL12547063 0.85 GPR119 (0.53) HPGDSGPR119KDM4EPKM
SCHEMBL22310758 0.83 GPR119 (0.45) HPGDSGPR119
SCHEMBL1951257 0.83 GPR119 (0.52) HPGDSGPR119KMT2A
SCHEMBL1321592 0.82 MET (0.52) HPGDSGPR119
SCHEMBL31690168 0.79 EPHX2 (0.47) HPGDSGPR119
Tert-Butyl Formate SCHEMBL29286245 0.78 PIK3CA (0.39) HPGDSKMT2A
SCHEMBL19266990 0.78 PDE4D (0.48) HPGDSGPR119USP30
SCHEMBL22310368 0.77 HPGDS (0.47) HPGDSGPR119
SCHEMBL12547453 0.77 CHEK2 (0.47) HPGDSGPR119

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-118359587-A Synthesis method of 4- (((2- (3- (hydroxymethyl) phenyl) pyrimidine-5-yl) oxo) methyl) piperidine-1-tert-butyl formate 上海法默生物科技有限公司 2024-07-19 CN disclosed