SCHEMBL6231925

SCHEMBL6231925

CCC(C1CCCN1)N(c1ccc(OC)c(Br)c1)c1nc(N)nc(NCC2CCCCC2)n1

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 1/20 0.34
TPH1 P17752 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
GALR1 P47211 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL6607370 0.91 GALR1 (0.39) TLR7TPH1SMN1; SMN2GALR1MEN1
SCHEMBL5554034 0.90 GALR1 (0.38) TLR7TPH1SMN1; SMN2GALR1MEN1
SCHEMBL6428528 0.88 GALR1 (0.35) GALR1
SCHEMBL6427958 0.85 GALR1 (0.33) TLR7TPH1GALR1
SCHEMBL6429776 0.84 ADRA2A (0.33) TPH1GALR1
SCHEMBL5553495 0.84 MAPK1 (0.34) GALR1
SCHEMBL5553512 0.84 MAPK1 (0.39) GALR1
SCHEMBL5036469 0.84 BCDIN3D (0.34) TPH1
SCHEMBL6428224 0.83 CCNK (0.33) GALR1
SCHEMBL6429682 0.82 MAPK1 (0.32) GALR1

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