SCHEMBL20632297

SCHEMBL20632297

C=C(Nc1cnccn1)N1c2nc(-c3cncc(C)c3)ccc2N2CCC1CC2

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HDAC8 Q9BY41 1/20 0.34
▸ HCRTR1 O43613 3/20 0.33
▸ HCRTR2 O43614 3/20 0.33
▸ KDM4E B2RXH2 4/20 0.32
▸ PRKD1 Q15139 1/20 0.32
▸ EGFR P00533 1/20 0.32
▸ PIM1 P11309 2/20 0.31
▸ PDE10A Q9Y233 1/20 0.31
▸ NPC1 O15118 2/20 0.31
▸ RAB9A P51151 2/20 0.31
▸ GAA P10253 1/20 0.31
▸ GSK3B P49841 1/20 0.31
▸ DYRK1A Q13627 1/20 0.31
▸ FAAH O00519 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
SCHEMBL20631481 0.90 GAA (0.38) KDM4EPRKD1EGFRPIM1PDE10A
SCHEMBL20633048 0.90 PRMT5 (0.39) HDAC8HCRTR1HCRTR2EGFRGSK3B
SCHEMBL20632764 0.90 GSK3B (0.36) PRKD1GSK3BDYRK1A
SCHEMBL16776273 0.90 FAAH (0.36) HDAC8HCRTR1HCRTR2KDM4ENPC1
SCHEMBL20633316 0.89 OPRK1 (0.35) HDAC8HCRTR1HCRTR2EGFRGSK3B
SCHEMBL20632516 0.86 PRMT5 (0.36) DYRK1A
SCHEMBL20631680 0.86 GAA (0.38) EGFRPIM1NPC1RAB9AGAA
SCHEMBL20633061 0.84 GSK3B (0.33) HDAC8HCRTR1HCRTR2KDM4ENPC1
SCHEMBL17778903 0.84 FAAH (0.35) HDAC8HCRTR1HCRTR2KDM4EPIM1
SCHEMBL16754331 0.84 FAAH (0.35) HDAC8HCRTR1HCRTR2KDM4EPIM1

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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