SCHEMBL30970924

SCHEMBL30970924

C=CC(=O)N1CCC[C@@H](n2c(=O)[nH]c3ccnc(N)c32)C1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 10/20 0.56
▸ BTK Q06187 8/20 0.56
▸ TEC P42680 2/20 0.56
▸ CD69 Q07108 1/20 0.56
▸ RIPK2 O43353 1/20 0.50
▸ LCK P06239 1/20 0.50
▸ FYN P06241 1/20 0.50
▸ YES1 P07947 1/20 0.50
▸ LYN P07948 1/20 0.50
▸ HCK P08631 1/20 0.50
▸ SRC P12931 1/20 0.50
▸ CSK P41240 1/20 0.50
▸ PTK6 Q13882 1/20 0.50
▸ JAK2 O60674 3/20 0.46
▸ JAK3 P52333 3/20 0.46
▸ JAK1 P23458 2/20 0.46
▸ MAP2K7 O14733 1/20 0.44
▸ ITK Q08881 2/20 0.44

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
SCHEMBL30970922 0.78 BTK (0.51) BTKLCKLYN
SCHEMBL26541434 0.74 BTK (0.82) EGFRBTKTECCD69RIPK2
SCHEMBL18644879 0.73 BTK (0.89) EGFRBTKTECCD69RIPK2
SCHEMBL18285473 0.73 JAK2 (0.40) BTKJAK2JAK3JAK1
Tolebrutinib SCHEMBL29564612 0.72 BTK (1.00) EGFRBTKTECCD69RIPK2
Tolebrutinib SCHEMBL18285624 0.72 BTK (1.00) EGFRBTKTECCD69RIPK2
Tolebrutinib SCHEMBL18285621 0.72 BTK (1.00) EGFRBTKTECCD69RIPK2
Tolebrutinib SCHEMBL29999020 0.72 BTK (1.00) EGFRBTKTECCD69RIPK2
SCHEMBL18644867 0.72 BTK (0.88) EGFRBTKTECCD69RIPK2
SCHEMBL18644873 0.72 BTK (0.88) EGFRBTKTECCD69RIPK2

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-4637726-A1 DRUG FORMULATIONS OF (R)-1-(1-ACRYLOYLPIPERIDIN-3-YL)-4-AMINO-3-(4- PHENOXYPHENYL)-1H-IMIDAZO[4,5-C]PYRIDIN-2(3H)-ONE Principia Biopharma Inc. (US) 2025-10-29 — — EP disclosed
WO-2024137604-A1 DRUG FORMULATIONS OF (R)-L-(L-ACRYLOYLPIPERIDIN-3-YL)-4-AMINO-3-(4- PHENOXYPHENYL)-1H-IMIDAZO[4,5-C]PYRIDIN-2(3H)-ONE GENZYME CORPORATION (US) 2024-06-27 — — WO disclosed
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