SCHEMBL5546261

SCHEMBL5546261

O=C(NC1=NCC2=CN(C(=O)Cc3ccc(Cl)cc3)CCC2=N1)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.41
KMT2A Q03164 5/20 0.36
MEN1 O00255 4/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
PGR P06401 1/20 0.36
PTGDR2 Q9Y5Y4 3/20 0.35
MAPT P10636 1/20 0.35
PKM P14618 1/20 0.35
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
HPGD P15428 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
NOD1 Q9Y239 1/20 0.35
CXCR3 P49682 2/20 0.35
CCNA2 P20248 1/20 0.34
CDK2 P24941 1/20 0.34
CCNA1 P78396 1/20 0.34
SIGMAR1 Q99720 1/20 0.34

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
SCHEMBL5546835 0.80 FLT1 (0.44) KMT2AMEN1NPC1RAB9APGR
SCHEMBL5546603 0.78 HPGDS (0.39) KDM4EKMT2AMEN1NPC1RAB9A
SCHEMBL5546870 0.78 NAMPT (0.34) KDM4EKMT2ANPC1RAB9AMAPT
SCHEMBL5546256 0.74 CHRNA7 (0.37) KDM4EKMT2AMEN1PGRCXCR3
SCHEMBL5545021 0.72 EPHX2 (0.39) KMT2AMEN1NPC1RAB9ATP53
SCHEMBL5546201 0.69 ABL1 (0.40) KMT2AMEN1LMNASMN1; SMN2EPHX2
SCHEMBL5546895 0.67 KMT2A (0.40) KDM4EKMT2ANPC1RAB9AMAPT
SCHEMBL5548490 0.66 MAPT (0.39) KMT2AMEN1RAB9AMAPTTP53
SCHEMBL3532526 0.66 ENPP2 (0.48) KDM4EMAPTCDK2
SCHEMBL5545017 0.64 ALDH1A1 (0.41) KDM4EKMT2AMEN1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2007534719-A 2007-11-29 JP claimed
EP-1742925-A1 SUBSTITUTED 5, 6, 7, 8-TETRAHYDRO-PYRIDO[4, 3-D]PYRIMIDINE-2-YL COMPOUNDS AND 5, 6, 7, 8-TETRAHYDRO-QUINAZOLINE-2-YL COMPOUNDS Grünenthal GmbH (DE) 2007-01-17 EP claimed
WO-2005105759-A1 SUBSTITUTED 5, 6, 7, 8-TETRAHYDRO-PYRIDO[4, 3-D]PYRIMIDINE-2-YL COMPOUNDS AND 5, 6, 7, 8-TETRAHYDRO-QUINAZOLINE-2-YL COMPOUNDS Grünenthal GmbH (DE) 2005-11-10 WO claimed