SCHEMBL29537862

SCHEMBL29537862

O=C(Nc1ccc([C@H]2CCNC2)cc1)Nc1cccc(Cl)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 2/20 0.74

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
SCHEMBL1990678 1.00 JAK3 (0.74) JAK3
Hydrochloric Acid SCHEMBL1991220 0.99 JAK3 (0.73) JAK3
SCHEMBL1993327 0.87 JAK3 (0.77) JAK3
SCHEMBL26154050 0.86 MEN1 (0.64)
Hydrochloric Acid SCHEMBL1995265 0.86 JAK3 (0.76) JAK3
SCHEMBL1992632 0.86 JAK3 (1.00) JAK3
SCHEMBL29537437 0.86 JAK3 (1.00) JAK3
SCHEMBL1997373 0.85 JAK3 (0.71) JAK3
Hydrochloric Acid SCHEMBL1991208 0.84 JAK3 (0.97) JAK3
SCHEMBL29536940 0.84

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-3187490-B1 SUBSTITUTED BENZAMIDE DERIVATIVES HOFFMANN LA ROCHE (CH) 2022-04-06 EP claimed