SCHEMBL25700356

SCHEMBL25700356

C[C@@H](O)c1nc2cnc3c(ccn3S(=O)(=O)c3ccccc3)c2n1[C@@H]1CN(C(=O)OC(C)(C)C)CC1F

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 4/20 0.38
BCHE P06276 1/20 0.38
JAK1 P23458 10/20 0.36
USP30 Q70CQ3 1/20 0.34
JAK2 O60674 2/20 0.33
NAMPT P43490 1/20 0.32
PIK3R1 P27986 2/20 0.32
PIK3CA P42336 2/20 0.32
MET P08581 1/20 0.32
TYK2 P29597 1/20 0.32
JAK3 P52333 1/20 0.32
PSEN1 P49768 1/20 0.32
PSEN2 P49810 1/20 0.32
APH1B Q8WW43 1/20 0.32
NCSTN Q92542 1/20 0.32
APH1A Q96BI3 1/20 0.32
PSENEN Q9NZ42 1/20 0.32

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
SCHEMBL25244785 1.00 HTR6 (0.38) HTR6BCHEJAK1USP30JAK2
SCHEMBL30480400 1.00 HTR6 (0.38) HTR6BCHEJAK1USP30JAK2
SCHEMBL25283307 1.00 HTR6 (0.38) HTR6BCHEJAK1USP30JAK2
SCHEMBL25240038 0.88 HTR6 (0.43) HTR6BCHEJAK1USP30JAK2
SCHEMBL25284995 0.88 HTR6 (0.43) HTR6BCHEJAK1USP30JAK2
SCHEMBL29460624 0.88 HTR6 (0.43) HTR6BCHEJAK1USP30JAK2
SCHEMBL2272937 0.88 HTR6 (0.43) HTR6BCHEJAK1USP30JAK2
SCHEMBL2284399 0.86 JAK1 (0.47) HTR6BCHEJAK1JAK2TYK2
SCHEMBL2224575 0.86 HTR6 (0.46) HTR6BCHEJAK1JAK2TYK2
SCHEMBL2225830 0.83 HTR6 (0.43) HTR6BCHE

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-2023115327-A1 PYRIDO RING COMPOUND, PREPARATION METHOD THEREFOR, INTERMEDIATE, COMPOSITION, AND APPLICATION 中国药科大学 2023-06-29 WO disclosed