SCHEMBL22296281

SCHEMBL22296281

C=CC(=O)N1CCCCC(N(C)P)C1

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 8/20 0.46
JAK1 P23458 2/20 0.46
BTK Q06187 14/20 0.38
EGFR P00533 3/20 0.38
JAK2 O60674 1/20 0.35

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
SCHEMBL22296280 0.88 JAK3 (0.47) JAK3JAK1BTKEGFR
SCHEMBL22222678 0.88 JAK3 (0.47) JAK3JAK1BTKEGFR
SCHEMBL22296379 0.83 JAK3 (0.51) JAK3JAK1BTKEGFR
SCHEMBL22296385 0.83 JAK3 (0.51) JAK3JAK1BTKEGFR
SCHEMBL22296219 0.83 JAK3 (0.51) JAK3JAK1BTKEGFR
SCHEMBL23865972 0.82 JAK3 (0.44) JAK3JAK1BTKEGFRJAK2
SCHEMBL21707131 0.82 JAK3 (0.44) JAK3JAK1BTKEGFRJAK2
SCHEMBL22296380 0.78 JAK3 (0.47) JAK3JAK1BTKEGFR
SCHEMBL23865962 0.78 JAK3 (0.47) JAK3JAK1BTKEGFR
SCHEMBL21706921 0.78 JAK3 (0.47) JAK3JAK1BTKEGFR

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-3689871-B1 4,6,7-TRISUBSTITUTED 1,2-DIHYDROPYRROL[3,4-C]PYRIDIN/PYRIMIDIN-3-ONE DERIVATIVE AND USE SHANGHAI HAIYAN PHARMACEUTICAL TECH CO LTD (CN) 2021-09-29 EP disclosed
EP-3689871-A1 4,6,7-TRISUBSTITUTED 1,2-DIHYDROPYRROL[3,4-C]PYRIDIN/PYRIMIDIN-3-ONE DERIVATIVE AND USE Shanghai Haiyan Pharmaceutical Technology Co., Ltd. (CN) 2020-08-05 EP disclosed