SCHEMBL6209675

SCHEMBL6209675

CCC(Nc1nc(NNC2CCCCCC2)nc(Nc2ccc(O)c(I)c2)n1)C1CCCN1

nearest known ligand 0.31

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSS P25774 1/20 0.31
CTSK P43235 1/20 0.31
GRK6 P43250 1/20 0.31
SOS1 Q07889 1/20 0.31
HIF1A Q16665 1/20 0.30
HSD17B10 Q99714 1/20 0.30
RAB9A P51151 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
SCHEMBL5553440 0.91 CTSS (0.40) CTSSCTSKRAB9A
SCHEMBL6208596 0.90 RPS6KA6 (0.36) GRK6SOS1HIF1AHSD17B10RAB9A
SCHEMBL4838488 0.81 RAB9A (0.39) CTSSCTSKRAB9A
SCHEMBL5553533 0.81 RAB9A (0.39) CTSSCTSKRAB9A
SCHEMBL5553518 0.81 RAB9A (0.37) CTSSCTSKRAB9A
SCHEMBL5549818 0.80 CTSS (0.39) CTSSCTSKRAB9A
SCHEMBL5550471 0.80 CTSS (0.42) CTSSCTSKRAB9A
SCHEMBL5553462 0.79 IDH2 (0.41) CTSSCTSKRAB9A
SCHEMBL5553411 0.78 CTSS (0.38) CTSSCTSKRAB9A
SCHEMBL4829579 0.76 GALR1 (0.41) SOS1

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