SCHEMBL6609401

SCHEMBL6609401

COc1ccc(N(CC2CCCCC2)c2nc(N)nc(N(C)C3CCN(C)CC3)n2)cc1Cl

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EHMT2 Q96KQ7 6/20 0.41
EHMT1 Q9H9B1 6/20 0.41
PGR P06401 2/20 0.41
SLC2A1 P11166 1/20 0.40
HRH4 Q9H3N8 2/20 0.38
SPIN1 Q9Y657 1/20 0.37
HTR4 Q13639 2/20 0.36
ACHE P22303 1/20 0.35
KMT5A Q9NQR1 2/20 0.34
NSD2 O96028 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
FGFR3 P22607 2/20 0.34
CYP2C19 P33261 1/20 0.34
FGFR1 P11362 1/20 0.34
FGFR2 P21802 1/20 0.34
FGFR4 P22455 1/20 0.34
KDR P35968 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
SCHEMBL6919803 0.86 EHMT2 (0.45) EHMT2EHMT1PGRSLC2A1HRH4
SCHEMBL5033412 0.77 EHMT2 (0.38) EHMT2EHMT1PGRSLC2A1HRH4
SCHEMBL4839209 0.76 EHMT2 (0.50) EHMT2EHMT1KMT5ASMN1; SMN2CYP2C19
SCHEMBL6237774 0.75 EHMT2 (0.45) EHMT2EHMT1SLC2A1HRH4SPIN1
SCHEMBL6016980 0.74 SMN1; SMN2 (0.38) SMN1; SMN2FGFR3FGFR1FGFR2FGFR4
SCHEMBL4832263 0.74 SLC2A1 (0.37) EHMT2EHMT1SLC2A1HRH4SPIN1
SCHEMBL4874024 0.72 HRH4 (0.57) HRH4
SCHEMBL6016881 0.72 MAPK1 (0.36) EHMT2EHMT1SLC2A1HRH4SPIN1
SCHEMBL4835516 0.72 BCL6 (0.44) EHMT2EHMT1
SCHEMBL5037951 0.71 EHMT2 (0.47) EHMT2EHMT1PGRHRH4

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
EP-1436266-A4 METHODS AND COMPOSITIONS OF NOVEL TRIAZINE COMPOUNDS REDDY US THERAPEUTICS INC (US) 2004-12-22 EP claimed
EP-1436266-A2 METHODS AND COMPOSITIONS OF NOVEL TRIAZINE COMPOUNDS Reddy US Therapeutics, Inc. (US) 2004-07-14 EP claimed
WO-2003024926-A2 METHODS AND COMPOSITIONS OF NOVEL TRIAZINE COMPOUNDS REDDY US THERAPEUTICS, INC. (US) 2003-03-27 WO claimed