SCHEMBL31131923

SCHEMBL31131923

COC1CC(n2cc(Br)cn2)C1

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ KDM5A P29375 1/20 0.34
▸ LRRK2 Q5S007 1/20 0.34
▸ F2 P00734 1/20 0.31
▸ PLAU P00749 1/20 0.31
▸ KLKB1 P03952 1/20 0.31
▸ ELANE P08246 1/20 0.31
▸ HSD11B1 P28845 1/20 0.31
▸ ELOVL1 Q9BW60 1/20 0.30

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
SCHEMBL22749849 0.79 MPO (0.47) LRRK2HSD11B1ELOVL1
SCHEMBL22749607 0.79 MPO (0.47) LRRK2HSD11B1ELOVL1
SCHEMBL22749608 0.79 MPO (0.47) LRRK2HSD11B1ELOVL1
SCHEMBL27122667 0.78 KDM5A (0.34) KDM5AF2PLAUKLKB1ELANE
SCHEMBL27123399 0.78 KDM5A (0.34) KDM5AF2PLAUKLKB1ELANE
SCHEMBL31547073 0.77 KDM5A (0.36) KDM5AF2PLAUKLKB1ELANE
SCHEMBL27123040 0.77 KDM5A (0.34) KDM5AF2PLAUKLKB1ELANE
SCHEMBL16876331 0.76 KDM5A (0.38) KDM5AF2PLAUKLKB1ELANE
SCHEMBL1404089 0.75 — —
SCHEMBL21995636 0.73 KDM5A (0.39) KDM5AF2PLAUKLKB1ELANE

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-4688778-A1 1H-PYRROLO[2,3-B]PYRIDIN-4-YL]-2-OXOPYRROLIDINE-3-CARBONITRILE DERIVATIVES AS TYROSINE KINASE 2 (TYK2) INHIBITORS FOR THE TREATMENT OF INFLAMMATORY DISEASES Biogen MA Inc. (US) 2026-02-11 — — EP disclosed
WO-2024211696-A1 1H-PYRROLO[2,3-B]PYRIDIN-4-YL]-2-OXOPYRROLIDINE-3-CARBONITRILE DERIVATIVES AS TYROSINE KINASE 2 (TYK2) INHIBITORS FOR THE TREATMENT OF INFLAMMATORY DISEASES BIOGEN MA INC. (US) 2024-10-10 — — WO disclosed
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