SCHEMBL4654969

SCHEMBL4654969

NC1CCC(Nc2nc(-n3cnc4cc(Cl)c(Cl)cc43)c3nc[nH]c3n2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 3/20 0.43
MKNK1 Q9BUB5 4/20 0.41
MKNK2 Q9HBH9 4/20 0.41
FLT3 P36888 4/20 0.36
CDK2 P24941 8/20 0.36
PDGFRA P16234 6/20 0.36
CDC7 O00311 1/20 0.36
DAPK3 O43293 1/20 0.36
JAK2 O60674 1/20 0.36
ROCK2 O75116 1/20 0.36
PRKD3 O94806 1/20 0.36
MAP4K4 O95819 1/20 0.36
PAK4 O96013 1/20 0.36
ABL1 P00519 1/20 0.36
LCK P06239 1/20 0.36
CSF1R P07333 1/20 0.36
RET P07949 1/20 0.36
PDGFRB P09619 1/20 0.36
PIM1 P11309 1/20 0.36
FGFR1 P11362 1/20 0.36

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
SCHEMBL4652773 1.00 IRAK4 (0.43) IRAK4MKNK1MKNK2FLT3CDK2
Hydrochloric Acid SCHEMBL4117075 0.99 IRAK4 (0.42) IRAK4MKNK1MKNK2FLT3CDK2
Hydrochloric Acid SCHEMBL4117078 0.99 IRAK4 (0.42) IRAK4MKNK1MKNK2FLT3CDK2
SCHEMBL4118724 0.88 CDK2 (0.35) IRAK4MKNK1MKNK2FLT3CDK2
SCHEMBL4118711 0.88 CDK2 (0.35) IRAK4MKNK1MKNK2FLT3CDK2
SCHEMBL4652606 0.84 MKNK1 (0.52) IRAK4MKNK1MKNK2CDK2MAPK8
SCHEMBL4652609 0.84 MKNK1 (0.52) IRAK4MKNK1MKNK2CDK2MAPK8
Hydrochloric Acid SCHEMBL4117071 0.83 MKNK1 (0.51) IRAK4MKNK1MKNK2CDK2MAPK8
Hydrochloric Acid SCHEMBL4117079 0.83 MKNK1 (0.51) IRAK4MKNK1MKNK2CDK2MAPK8
SCHEMBL4654968 0.82 IRAK4 (0.47) IRAK4CDK2PDGFRAFGFR1CCNE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1597258-B1 NOVEL PURINE DERIVATIVES, PREPARATION METHOD THEREOF, APPLICATION OF SAME AS MEDICAMENTS, PHARMACEUTICAL COMPOSITIONS AND NOVEL USE AVENTIS PHARMA SA (FR) 2008-11-05 EP claimed
EP-1597258-A2 NOVEL PURINE DERIVATIVES, PREPARATION METHOD THEREOF, APPLICATION OF SAME AS MEDICAMENTS, PHARMACEUTICAL COMPOSITIONS AND NOVEL USE Aventis Pharma S.A. (FR) 2005-11-23 EP claimed
WO-2004073595-A2 NOVEL PURINE DERIVATIVES, PREPARATION METHOD THEREOF, APPLICATION OF SAME AS MEDICAMENTS, PHARMACEUTICAL COMPOSITIONS AND NOVEL USE AVENTIS PHARMA S.A. (FR) 2004-09-02 WO claimed
EP-1597258-B1 NOVEL PURINE DERIVATIVES, PREPARATION METHOD THEREOF, APPLICATION OF SAME AS MEDICAMENTS, PHARMACEUTICAL COMPOSITIONS AND NOVEL USE AVENTIS PHARMA SA (FR) 2008-11-05 EP disclosed
EP-1597258-A2 NOVEL PURINE DERIVATIVES, PREPARATION METHOD THEREOF, APPLICATION OF SAME AS MEDICAMENTS, PHARMACEUTICAL COMPOSITIONS AND NOVEL USE Aventis Pharma S.A. (FR) 2005-11-23 EP disclosed
WO-2004073595-A2 NOVEL PURINE DERIVATIVES, PREPARATION METHOD THEREOF, APPLICATION OF SAME AS MEDICAMENTS, PHARMACEUTICAL COMPOSITIONS AND NOVEL USE AVENTIS PHARMA S.A. (FR) 2004-09-02 WO disclosed