SCHEMBL19670237

SCHEMBL19670237

OC(Nc1cnccn1)N1c2nc(-c3ccc(Cl)c(Cl)c3)ccc2N2CC[C@H]1C2

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PRKD1 Q15139 4/20 0.33
▸ NPY5R Q15761 1/20 0.33
▸ PIM1 P11309 3/20 0.33
▸ KMO O15229 2/20 0.32
▸ PTPN11 Q06124 1/20 0.32
▸ KARS1 Q15046 2/20 0.32
▸ RPS6KB1 P23443 1/20 0.32
▸ MAPK14 Q16539 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ GSK3B P49841 1/20 0.31
▸ DYRK1A Q13627 1/20 0.31

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
SCHEMBL19706213 0.90 PRKD1 (0.33) PRKD1PIM1KARS1HPGDHSD17B10
SCHEMBL19670367 0.90 CCNC (0.34) —
SCHEMBL19670488 0.84 HPGD (0.33) HPGDHSD17B10DYRK1A
SCHEMBL19670635 0.84 PRKD1 (0.35) PRKD1KARS1
SCHEMBL19706309 0.84 HRH3 (0.39) PRKD1KARS1
SCHEMBL19706211 0.83 SMN1; SMN2 (0.36) PRKD1PIM1KARS1
SCHEMBL19670673 0.83 JAK3 (0.33) —
SCHEMBL17618678 0.83 KMO (0.36) PRKD1KMOKARS1RPS6KB1GSK3B
SCHEMBL19670505 0.83 PRKD1 (0.34) PRKD1KARS1
SCHEMBL19706209 0.82 SMPD3 (0.34) PRKD1PIM1HPGDHSD17B10

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-9834558-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-12-05 — — US disclosed
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