SCHEMBL6233028

SCHEMBL6233028

COc1ccc(N(CC2CCCCC2)c2nc(N)nc(NCn3ccnc3)n2)cc1F

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 10/20 0.41
GALR1 P47211 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.35
QPCT Q16769 2/20 0.33
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
PIK3CA P42336 1/20 0.32
DHFR P00374 1/20 0.32
TLR9 Q9NR96 1/20 0.32
TLR7 Q9NYK1 1/20 0.32
TTK P33981 1/20 0.32

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
SCHEMBL6232918 0.80 GALR1 (0.37) GALR1SMN1; SMN2KMT2APIK3CADHFR
SCHEMBL5032177 0.80 KDM4E (0.40) GALR1SMN1; SMN2MEN1KMT2A
SCHEMBL6428170 0.80 GALR1 (0.37) GALR1SMN1; SMN2
SCHEMBL6864393 0.80 DRD2 (0.41) GALR1
SCHEMBL6863418 0.79 CYP19A1 (0.41) CYP19A1SMN1; SMN2QPCTMEN1KMT2A
SCHEMBL6016980 0.78 SMN1; SMN2 (0.38) GALR1SMN1; SMN2MEN1KMT2APIK3CA
SCHEMBL6428071 0.77 DRD2 (0.35) SMN1; SMN2
SCHEMBL5428789 0.77 GALR1 (0.43) GALR1SMN1; SMN2KMT2APIK3CADHFR
SCHEMBL6607362 0.77 GALR1 (0.39) GALR1
SCHEMBL4837017 0.76 GALR1 (0.59) CYP19A1GALR1

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