SCHEMBL24253982

SCHEMBL24253982

CCc1cc(OC(=O)N2CCN(CCC(C)(COC(C)(C)C)COC(C)(C)C)CC2)ccc1Nc1cc(-c2ccc(-n3cccn3)cc2)n(C(=O)OC(C)(C)C)n1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TNIK Q9UKE5 9/20 0.39
GPR119 Q8TDV5 1/20 0.35
PIK3CD O00329 1/20 0.33
TGFBR1 P36897 1/20 0.32
TGFBR2 P37173 1/20 0.32
GPR4 P46093 1/20 0.31
ACKR3 P25106 2/20 0.31
TBK1 Q9UHD2 1/20 0.31

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
SCHEMBL24254072 0.86 TNIK (0.56) TNIK
SCHEMBL24253788 0.83 GPR119 (0.41) TNIKGPR119PIK3CD
SCHEMBL24253983 0.69 SMN1; SMN2 (0.41)
SCHEMBL24253785 0.67 TNIK (0.60) TNIK
SCHEMBL24253816 0.66 GPR119 (0.46) GPR119PIK3CDTBK1
SCHEMBL4936482 0.61 GPR119 (0.65) GPR119PIK3CD
SCHEMBL24254068 0.60 SMN1; SMN2 (0.43)
SCHEMBL21247730 0.59 TNIK (0.48) TNIKGPR119PIK3CD
SCHEMBL4808991 0.59 ALOX15 (0.42) GPR119
SCHEMBL4808986 0.59 GPR119 (0.43) GPR119

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-2022034587-A1 Traf2- AND Nck-INTERACTING KINASE (TNIK) INHIBITORS AND USES THEREOF TNIK THERAPEUTICS LTD (IL) 2022-02-17 WO disclosed