SCHEMBL23217145

SCHEMBL23217145

NC(=O)c1c([C@H]2CCC[C@H]2O)nn2cccnc12

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 7/20 0.38
▸ JAK3 P52333 7/20 0.38
▸ KCNQ3 O43525 4/20 0.35
▸ KCNQ2 O43526 4/20 0.35
▸ PIK3CD O00329 2/20 0.35
▸ PIK3CG P48736 2/20 0.35
▸ PIK3R2 O00459 1/20 0.35
▸ IRAK4 Q9NWZ3 3/20 0.35
▸ HPGD P15428 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ ZAP70 P43403 1/20 0.34
▸ SYK P43405 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ PIK3CA P42336 1/20 0.33
▸ PIK3CB P42338 1/20 0.33

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
SCHEMBL23216990 0.77 HPGD (0.40) JAK2JAK3KCNQ3KCNQ2PIK3CD
SCHEMBL17657041 0.71 PIK3CG (0.45) JAK2JAK3PIK3CDPIK3CGPIK3R2
SCHEMBL31061409 0.71 IRAK4 (0.40) JAK2JAK3PIK3CDPIK3CGPIK3R2
SCHEMBL7511248 0.71 PARP1 (0.44) HPGDSMN1; SMN2ALDH1A1
SCHEMBL30267250 0.71 JAK2 (0.54) JAK2JAK3IRAK4
SCHEMBL462895 0.70 HPGD (0.41) PIK3CDPIK3CGIRAK4HPGDSMN1; SMN2
SCHEMBL22102607 0.70 NTRK1 (0.51) PIK3CDPIK3CGIRAK4HPGDSMN1; SMN2
SCHEMBL26247268 0.70 APOBEC3A (0.41) JAK2JAK3KCNQ3KCNQ2PIK3CD
SCHEMBL17460390 0.69 HPGD (0.42) JAK2JAK3KCNQ3KCNQ2IRAK4
SCHEMBL29359724 0.68 HTR6 (0.49) KCNQ3KCNQ2PIK3CDPIK3CGIRAK4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4041259-A1 FEEDER-BASED AND FEEDER-FREE STEM CELL CULTURE SYSTEMS FOR STRATIFIED EPITHELIAL STEM CELLS, AND USES RELATED THERETO University of Houston System (US) 2022-08-17 — — EP disclosed
WO-2021072238-A1 FEEDER-BASED AND FEEDER-FREE STEM CELL CULTURE SYSTEMS FOR STRATIFIED EPITHELIAL STEM CELLS, AND USES RELATED THERETO UNIVERSITY OF HOUSTON SYSTEM (US) 2021-04-15 — — WO disclosed
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