SCHEMBL20632191

SCHEMBL20632191

C=C(Nc1ccccn1)N1c2nc(-c3cccc(C#N)c3)ccc2N2CCC[C@@H]1C2

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ USP30 Q70CQ3 3/20 0.41
▸ LRRK2 Q5S007 13/20 0.40
▸ MAP4K1 Q92918 2/20 0.40
▸ PDE4D Q08499 1/20 0.39
▸ PRKCQ Q04759 1/20 0.39
▸ JAK2 O60674 1/20 0.38
▸ JAK1 P23458 1/20 0.38
▸ JAK3 P52333 1/20 0.38

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
SCHEMBL17618514 0.91 USP30 (0.45) USP30LRRK2MAP4K1PDE4DPRKCQ
SCHEMBL17618586 0.91 USP30 (0.45) USP30LRRK2MAP4K1PDE4DPRKCQ
SCHEMBL19365376 0.91 USP30 (0.45) USP30LRRK2MAP4K1PDE4DPRKCQ
SCHEMBL20633151 0.89 LRRK2 (0.39) USP30LRRK2MAP4K1PRKCQJAK2
SCHEMBL20633225 0.86 BTK (0.34) MAP4K1
SCHEMBL17618444 0.85 USP30 (0.42) USP30LRRK2PDE4D
SCHEMBL20631740 0.85 LRRK2 (0.38) LRRK2MAP4K1PDE4DPRKCQJAK2
SCHEMBL20632798 0.85 LRRK2 (0.42) LRRK2MAP4K1PRKCQJAK2JAK1
SCHEMBL19704835 0.84 USP30 (0.43) USP30LRRK2MAP4K1PDE4D
SCHEMBL17618587 0.81 USP30 (0.42) USP30LRRK2MAP4K1PRKCQJAK2

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-2997029-B1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2019-01-09 — — EP disclosed
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