SCHEMBL19365301

SCHEMBL19365301

N#Cc1cncc(-c2ccc3c(n2)N(C(=O)Nc2ccccn2)[C@H]2CCN32)c1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 2/20 0.41
▸ DYRK1A Q13627 2/20 0.41
▸ CPT1A P50416 1/20 0.36
▸ CYP11B1 P15538 1/20 0.35
▸ CYP11B2 P19099 1/20 0.35
▸ CTPS1 P17812 1/20 0.35
▸ GPR6 P46095 2/20 0.35
▸ CHRM4 P08173 1/20 0.34
▸ AR P10275 1/20 0.34
▸ ABL1 P00519 3/20 0.34
▸ USP30 Q70CQ3 1/20 0.34
▸ MEN1 O00255 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ JAK3 P52333 1/20 0.33

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
SCHEMBL19670224 1.00 GSK3B (0.41) GSK3BDYRK1ACPT1ACYP11B1CYP11B2
SCHEMBL19365398 0.87 PRMT5 (0.40) GSK3BDYRK1AMEN1HTTKMT2A
SCHEMBL19365399 0.87 PRMT5 (0.40) GSK3BDYRK1AMEN1HTTKMT2A
SCHEMBL19365582 0.87 GSK3B (0.39) GSK3BDYRK1ACHRM4ABL1MEN1
SCHEMBL19670325 0.87 GSK3B (0.39) GSK3BDYRK1ACHRM4ABL1MEN1
SCHEMBL19365792 0.86 MEN1 (0.38) GSK3BDYRK1ACPT1ACYP11B1CYP11B2
SCHEMBL17618603 0.85 GSK3B (0.40) GSK3BDYRK1ACPT1AGPR6CHRM4
SCHEMBL19670317 0.85 DYRK1A (0.42) GSK3BDYRK1ACYP11B1CYP11B2CTPS1
SCHEMBL19365296 0.85 DYRK1A (0.42) GSK3BDYRK1ACYP11B1CYP11B2CTPS1
SCHEMBL19365403 0.85 PIK3C3 (0.42) GSK3BDYRK1A

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
US-9765075-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-09-19 — — US disclosed
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