SCHEMBL21551620

SCHEMBL21551620

O=C(O)N[C@@H]1CCN(c2ccc(Br)cn2)C[C@@H]1F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 3/20 0.43
▸ JAK1 P23458 3/20 0.43
▸ JAK3 P52333 3/20 0.43
▸ OPRK1 P41145 1/20 0.43
▸ CHEK1 O14757 1/20 0.43
▸ NTRK1 P04629 1/20 0.43
▸ PRKCA P17252 1/20 0.43
▸ CCNA2 P20248 1/20 0.43
▸ CDK2 P24941 1/20 0.43
▸ GSK3B P49841 1/20 0.43
▸ MAPK10 P53779 1/20 0.43
▸ CCNA1 P78396 1/20 0.43
▸ MAP3K9 P80192 1/20 0.43
▸ PRKCQ Q04759 1/20 0.43
▸ ROCK1 Q13464 1/20 0.43
▸ CAMK2A Q9UQM7 1/20 0.43
▸ AKR1C3 P42330 1/20 0.42
▸ CHRM4 P08173 1/20 0.41
▸ LCAT P04180 1/20 0.41
▸ TRPV1 Q8NER1 2/20 0.40

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
SCHEMBL21551621 1.00 JAK2 (0.43) JAK2JAK1JAK3OPRK1CHEK1
SCHEMBL21551623 1.00 JAK2 (0.43) JAK2JAK1JAK3OPRK1CHEK1
SCHEMBL21551489 0.89 OPRK1 (0.45) JAK2JAK1JAK3OPRK1CHEK1
SCHEMBL27050678 0.89 OPRK1 (0.45) JAK2JAK1JAK3OPRK1CHEK1
SCHEMBL21551487 0.89 OPRK1 (0.45) JAK2JAK1JAK3OPRK1CHEK1
SCHEMBL21551488 0.89 OPRK1 (0.45) JAK2JAK1JAK3OPRK1CHEK1
SCHEMBL29890824 0.89 OPRK1 (0.45) JAK2JAK1JAK3OPRK1CHEK1
SCHEMBL21564574 0.84 RET (0.45) JAK3OPRK1CHRM4
SCHEMBL21564571 0.84 RET (0.45) JAK3OPRK1CHRM4
SCHEMBL29891163 0.84 RET (0.45) JAK3OPRK1CHRM4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3790871-B1 FURIN INHIBITORS GLAXOSMITHKLINE IP DEV LTD (GB) 2024-01-24 — — EP disclosed
EP-3790871-A1 FURIN INHIBITORS GlaxoSmithKline Intellectual Property Development Limited (GB) 2021-03-17 — — EP disclosed
WO-2019215341-A1 FURIN INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-11-14 — — WO disclosed
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