SCHEMBL6209045

SCHEMBL6209045

COc1ccc(Nc2nc(NCCCN3CCCC3)nc(NCC3CCCCC3)n2)cc1F

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GALR1 P47211 5/20 0.59
GALR2 O43603 4/20 0.46
EHMT2 Q96KQ7 3/20 0.45
EHMT1 Q9H9B1 1/20 0.45
KDM1A O60341 2/20 0.43
RCOR1 Q9UKL0 2/20 0.43
TLR7 Q9NYK1 4/20 0.42
TLR9 Q9NR96 3/20 0.42
PGK1 P00558 1/20 0.41
LCK P06239 1/20 0.41
SRC P12931 1/20 0.41
KDR P35968 1/20 0.41
MAPK14 Q16539 1/20 0.41
AXL P30530 1/20 0.41
CHRNA1 P02708 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CHRNB2 P17787 1/20 0.41
CHRNA7 P36544 1/20 0.41
CHRNA4 P43681 1/20 0.41

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
SCHEMBL5550957 0.89 EHMT2 (0.48) GALR1GALR2EHMT2EHMT1KDM1A
SCHEMBL5036029 0.84 GALR1 (0.61) GALR1GALR2KDRCDK1CDK4
SCHEMBL4832691 0.84 GALR1 (0.49) GALR1GALR2EHMT2EHMT1KDM1A
SCHEMBL4832677 0.83 GALR1 (0.62) GALR1GALR2KCNH2CDK1CDK4
SCHEMBL6209506 0.83 GALR1 (0.58) GALR1GALR2CDK1CDK4CCNB1
SCHEMBL4832453 0.83 GALR1 (0.67) GALR1GALR2CYP3A4
SCHEMBL5431447 0.83 GALR1 (0.67) GALR1GALR2CDK1CDK4CCNB1
SCHEMBL4838923 0.83 GALR1 (0.67) GALR1GALR2CYP2D6CDK1CDK4
SCHEMBL5032362 0.83 GALR1 (0.60) GALR1GALR2EHMT2EHMT1CDK1
SCHEMBL5031387 0.82 GALR1 (0.59) GALR1GALR2CDK1CDK4CCNB1

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-1560817-A1 METHODS AND COMPOSITIONS OF NOVEL TRIAZINE COMPOUNDS Reddy US Therapeutics, Inc. (US) 2005-08-10 EP claimed
WO-2004026844-A1 METHODS AND COMPOSITIONS OF NOVEL TRIAZINE COMPOUNDS REDDY US THERAPEUTICS, INC. (US) 2004-04-01 WO claimed