SCHEMBL20008317

SCHEMBL20008317

Cc1cnc2c(c1)/C2=C/N=C\C(=N)N1CCCCC1

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.33
HTT P42858 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL20008420 0.62 NPC1 (0.43) HTTMEN1KMT2A
SCHEMBL24080970 0.58 NOS3 (0.42) CNR2HTTKDM4EMEN1LMNA
SCHEMBL6598757 0.55 KMT2A (0.66) KMT2A
SCHEMBL7485228 0.53 KMT2A (0.49) CNR2MEN1LMNAKMT2A
SCHEMBL16945095 0.52 CNR2 (0.53) CNR2HTTKDM4ELMNA
SCHEMBL14344739 0.51 CCR1 (0.47) KDM4EMEN1LMNAKMT2A
SCHEMBL16408483 0.51 TDP1 (0.63) CNR2
SCHEMBL16546002 0.51 TDP1 (0.63) CNR2
SCHEMBL13151876 0.51 KMT2A (0.71) HTTKDM4EMEN1LMNAKMT2A
SCHEMBL12108751 0.51 KMT2A (0.66) KMT2A

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-3299367-A1 BIARYL AMIDE COMPOUNDS AS KINASE INHIBITORS Novartis AG (CH) 2018-03-28 EP disclosed