SCHEMBL27433382

SCHEMBL27433382

C[C@@H](O)c1nc2cnc3c(cnn3S(=O)(=O)c3ccccc3)c2n1[C@H]1CCN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 3/20 0.41
EGFR P00533 2/20 0.40
SRC P12931 1/20 0.40
CYP3A4 P08684 1/20 0.39
GPR119 Q8TDV5 6/20 0.38
NR3C1 P04150 1/20 0.38
PIK3CA P42336 1/20 0.38
HTR6 P50406 2/20 0.37
USP30 Q70CQ3 3/20 0.37
BCHE P06276 1/20 0.37
HPGDS O60760 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
SCHEMBL25285310 1.00 JAK1 (0.41) JAK1EGFRSRCCYP3A4GPR119
SCHEMBL25240038 0.88 HTR6 (0.43) JAK1EGFRSRCPIK3CAHTR6
SCHEMBL29460624 0.88 HTR6 (0.43) JAK1EGFRSRCPIK3CAHTR6
SCHEMBL25284995 0.88 HTR6 (0.43) JAK1EGFRSRCPIK3CAHTR6
SCHEMBL2272937 0.88 HTR6 (0.43) JAK1EGFRSRCPIK3CAHTR6
SCHEMBL2284399 0.84 JAK1 (0.47) JAK1EGFRSRCHTR6BCHE
SCHEMBL2224575 0.84 HTR6 (0.46) JAK1CYP3A4GPR119NR3C1HTR6
SCHEMBL29460614 0.81 JAK1 (0.42) JAK1CYP3A4HTR6
SCHEMBL29100337 0.81 JAK1 (0.42) JAK1CYP3A4HTR6
SCHEMBL29100338 0.81 JAK1 (0.42) JAK1CYP3A4HTR6

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