SCHEMBL6934565

SCHEMBL6934565

Cc1nn(C)c(NCCNc2c(N)c(C)nn2C)c1N

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.35
GAA P10253 3/20 0.33
MAPT P10636 2/20 0.33
GALR3 O60755 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PKM P14618 1/20 0.32
CDK8 P49336 2/20 0.32
ACVR1 Q04771 2/20 0.32
DAPK3 O43293 1/20 0.31
PRKD3 O94806 1/20 0.31
MAP4K4 O95819 1/20 0.31
PRKACA P17612 1/20 0.31
LTK P29376 1/20 0.31
KDR P35968 1/20 0.31
MAP2K2 P36507 1/20 0.31
MAPK8 P45983 1/20 0.31
CSNK1A1 P48729 1/20 0.31
CLK2 P49760 1/20 0.31
CDK9 P50750 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
SCHEMBL1801275 0.89 KDM4E (0.35) KDM4EGAACDK8ACVR1DAPK3
Hydrochloric Acid SCHEMBL7110990 0.89 GAA (0.33) KDM4EGAA
SCHEMBL5228462 0.86 KDM4E (0.34) KDM4EGAAMAPTGALR3HTT
SCHEMBL7114634 0.85 MAPT (0.39) KDM4EGAAMAPTGALR3HTT
SCHEMBL6967173 0.84 KDM4E (0.33) KDM4EGAAMAPTGALR3HTT
SCHEMBL6934682 0.82 NMT1 (0.42) GAA
SCHEMBL7111867 0.81 HRH4 (0.38)
SCHEMBL7113349 0.81 PRSS1 (0.36)
SCHEMBL6934711 0.81 SMN1; SMN2 (0.37) KDM4EGAAMAPTHTTSMN1; SMN2
SCHEMBL6937423 0.81 NPC1 (0.44) KDM4EMAPTHTTSMN1; SMN2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1304995-A2 AGENT FOR DYEING KERATIN CONTAINING FIBERS Henkel Kommanditgesellschaft auf Aktien (DE) 2003-05-02 EP disclosed
WO-2002009662-A2 AGENT FOR DYEING KERATIN CONTAINING FIBERS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2002-02-07 WO disclosed