SCHEMBL26564201

SCHEMBL26564201

C[S+]([O-])NCC1CCCN(c2ncnc3cc(F)c(C#N)cc23)C1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 5/20 0.41
▸ JAK3 P52333 3/20 0.41
▸ JAK1 P23458 2/20 0.41
▸ IRAK4 Q9NWZ3 1/20 0.40
▸ PRKDC P78527 6/20 0.39
▸ PDE10A Q9Y233 2/20 0.39
▸ ENPP1 P22413 2/20 0.38
▸ LRRK2 Q5S007 2/20 0.37
▸ PDE3A Q14432 2/20 0.36
▸ PDE3B Q13370 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
SCHEMBL26552675 0.85 JAK2 (0.42) JAK2JAK3JAK1IRAK4PRKDC
SCHEMBL26559608 0.84 ENPP1 (0.39) JAK3PRKDCENPP1PDE3A
SCHEMBL21664351 0.84 ENPP1 (0.47) JAK2JAK3JAK1IRAK4PRKDC
SCHEMBL21664352 0.84 ENPP1 (0.47) JAK2JAK3JAK1IRAK4PRKDC
SCHEMBL21664293 0.84 ENPP1 (0.47) JAK2JAK3JAK1IRAK4PRKDC
SCHEMBL30562936 0.84 ENPP1 (0.47) JAK2JAK3JAK1IRAK4PRKDC
SCHEMBL26556343 0.84 JAK2 (0.41) JAK2JAK3JAK1IRAK4PRKDC
SCHEMBL26556273 0.84 JAK2 (0.41) JAK2JAK3JAK1IRAK4PRKDC
SCHEMBL21664270 0.83 ENPP1 (0.47) JAK2JAK3JAK1IRAK4PRKDC
Hydrochloric Acid SCHEMBL30562912 0.83 ENPP1 (0.47) JAK2JAK3JAK1IRAK4PRKDC

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-3551188-B1 SUBSTITUTED QUINAZOLINE SULFONAMIDES AS THIOREDOXIN INTERACTING PROTEIN (TXNIP) INHIBITORS SOUTHERN RES INST (US) 2023-10-18 — — EP disclosed
Send feedback