SCHEMBL14600545

SCHEMBL14600545

COc1ccc(Nc2nc(NC3CCCCCC3)nc(NC3CCCNC3)n2)cc1F

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDH2 P48735 2/20 0.55
BCL6 P41182 1/20 0.51
GALR1 P47211 4/20 0.48
CTSS P25774 4/20 0.47
CTSK P43235 4/20 0.47
CTSL P07711 3/20 0.47
MEN1 O00255 1/20 0.45
MAPT P10636 1/20 0.45
HTT P42858 1/20 0.45
KMT2A Q03164 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
GALR2 O43603 3/20 0.44
RAB9A P51151 1/20 0.44
CDK1 P06493 1/20 0.43
CDK4 P11802 1/20 0.43
CCNB1 P14635 1/20 0.43
CCND1 P24385 1/20 0.43
CCNE1 P24864 1/20 0.43
CDK2 P24941 1/20 0.43

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
SCHEMBL5550438 0.91 BCL6 (0.56) BCL6GALR1CTSSCTSKCTSL
SCHEMBL4835239 0.90 BCL6 (0.59) BCL6GALR1CTSSCTSKCTSL
SCHEMBL4836523 0.90 BCL6 (0.59) BCL6GALR1CTSSCTSKCTSL
SCHEMBL4832326 0.90 BCL6 (0.59) BCL6GALR1CTSSCTSKCTSL
SCHEMBL14417600 0.86 BCL6 (0.55) BCL6GALR1CTSSCTSKCTSL
SCHEMBL14585681 0.86 BCL6 (0.55) BCL6GALR1CTSSCTSKCTSL
SCHEMBL6231983 0.85 SMN1; SMN2 (0.58) BCL6GALR1CTSSCTSKCTSL
SCHEMBL4838260 0.85 RAB9A (0.62) BCL6GALR1CTSSCTSKCTSL
SCHEMBL4832475 0.85 BCL6 (0.54) BCL6GALR1CTSSCTSKCTSL
SCHEMBL4832194 0.85 BCL6 (0.54) BCL6GALR1CTSSCTSKCTSL

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
US-7169784-B2 Medical devices employing triazine compounds and compositions thereof REDDY US THERAPEUTICS, INC. (US) 2007-01-30 US disclosed
US-7169784-B2 Medical devices employing triazine compounds and compositions thereof REDDY US THERAPEUTICS, INC. (US) 2007-01-30 US disclosed