SCHEMBL27433422

SCHEMBL27433422

CC(C)(C)OC(=O)N1CCC(n2c(CO)nc3cnc4c(ccn4S(=O)(=O)c4ccccc4)c32)C1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 4/20 0.46
BCHE P06276 1/20 0.45
EGFR P00533 2/20 0.42
SRC P12931 2/20 0.42
PIK3CA P42336 1/20 0.38
USP7 Q93009 2/20 0.38
USP30 Q70CQ3 2/20 0.37
GPR119 Q8TDV5 3/20 0.37
TGFBR1 P36897 1/20 0.37
BTK Q06187 1/20 0.37
ADAM17 P78536 2/20 0.37
RORC P51449 1/20 0.36

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
SCHEMBL2224307 0.95 HTR6 (0.48) HTR6BCHEEGFRSRCGPR119
SCHEMBL27432817 0.94 HTR6 (0.46) HTR6BCHEEGFRSRCPIK3CA
SCHEMBL25693615 0.90 HTR6 (0.45) HTR6BCHEEGFRSRCPIK3CA
SCHEMBL2277274 0.89 HTR6 (0.48) HTR6BCHEGPR119TGFBR1RORC
SCHEMBL2278007 0.88 HTR6 (0.47) HTR6BCHEGPR119TGFBR1RORC
SCHEMBL25240038 0.87 HTR6 (0.43) HTR6BCHEEGFRSRCPIK3CA
SCHEMBL2272937 0.87 HTR6 (0.43) HTR6BCHEEGFRSRCPIK3CA
SCHEMBL25284995 0.87 HTR6 (0.43) HTR6BCHEEGFRSRCPIK3CA
SCHEMBL29460624 0.87 HTR6 (0.43) HTR6BCHEEGFRSRCPIK3CA
SCHEMBL25235529 0.87 HTR6 (0.43) HTR6BCHEEGFRSRCPIK3CA

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
EP-4393923-A1 PYRIDO RING COMPOUND, PREPARATION METHOD THEREFOR, INTERMEDIATE, COMPOSITION, AND APPLICATION Yiyou Biotech (Shanghai) Co., Ltd. (CN) 2024-07-03 EP disclosed