SCHEMBL6607370

SCHEMBL6607370

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

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GALR1 P47211 1/20 0.39
MAPK1 P28482 5/20 0.34
TLR7 Q9NYK1 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
HTR2B P41595 1/20 0.33
TPH1 P17752 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ADORA2A P29274 1/20 0.32
ADORA1 P30542 1/20 0.32
DHFR P00374 1/20 0.31
PI4KB Q9UBF8 3/20 0.30
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
SCHEMBL5554034 0.99 GALR1 (0.38) GALR1MAPK1TLR7HTR2AHTR2C
SCHEMBL6428528 0.97 GALR1 (0.35) GALR1MAPK1DHFR
SCHEMBL5553495 0.93 MAPK1 (0.34) GALR1MAPK1
SCHEMBL5553512 0.93 MAPK1 (0.39) GALR1MAPK1
SCHEMBL6427958 0.93 GALR1 (0.33) GALR1TLR7TPH1ADORA2AADORA1
SCHEMBL6429776 0.92 ADRA2A (0.33) GALR1TPH1ADORA2AADORA1
SCHEMBL6429682 0.91 MAPK1 (0.32) GALR1MAPK1
SCHEMBL6231925 0.91 TLR7 (0.34) GALR1TLR7TPH1SMN1; SMN2MEN1
SCHEMBL6428224 0.90 CCNK (0.33) GALR1MAPK1ADORA2AADORA1
SCHEMBL6016949 0.89 SMN1; SMN2 (0.43) GALR1MAPK1SMN1; SMN2MEN1KMT2A

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