SCHEMBL19670235

SCHEMBL19670235

O=C(Nc1cnccn1)N1c2nc(-c3ccc(Cl)c(Cl)c3)ccc2N2CCC21

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 6/20 0.36
▸ DYRK1A Q13627 6/20 0.36
▸ KDM4E B2RXH2 3/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ ABL1 P00519 3/20 0.36
▸ POLB P06746 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ KARS1 Q15046 1/20 0.35
▸ CHEK1 O14757 1/20 0.35
▸ KMO O15229 1/20 0.35
▸ SIRT2 Q8IXJ6 1/20 0.35
▸ FAAH O00519 2/20 0.35

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
SCHEMBL19670370 0.90 P2RX7 (0.38) KMT2AMEN1ABL1MAPT
SCHEMBL19365761 0.89 MAPT (0.37) GSK3BKDM4ERAB9AKMT2AMEN1
SCHEMBL19365409 0.88 RAB9A (0.41) GSK3BDYRK1ARAB9AKMT2AMEN1
SCHEMBL19365410 0.88 RAB9A (0.41) GSK3BDYRK1ARAB9AKMT2AMEN1
SCHEMBL19670491 0.86 FAAH (0.38) GSK3BDYRK1AKMT2AKARS1FAAH
SCHEMBL17618678 0.84 KMO (0.36) GSK3BDYRK1AKDM4ERAB9AKMT2A
SCHEMBL19364899 0.83 ALOX15 (0.38) GSK3BDYRK1AABL1MAPTCHEK1
SCHEMBL19365401 0.82 MALT1 (0.40) GSK3BDYRK1ARAB9AKMOFAAH
SCHEMBL19365400 0.82 MALT1 (0.40) GSK3BDYRK1ARAB9AKMOFAAH
SCHEMBL19706063 0.79 SIRT2 (0.37) GSK3BDYRK1AKDM4ERAB9AKMT2A

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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