SCHEMBL12373456

SCHEMBL12373456

NCCNc1nc(NCCN)nc(Nc2ccccc2)n1

nearest known ligand 0.69

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.69
MCL1 Q07820 1/20 0.69
KCNH3 Q9ULD8 14/20 0.63
MEN1 O00255 3/20 0.58
KMT2A Q03164 3/20 0.58
MAPT P10636 2/20 0.58
KDM4E B2RXH2 1/20 0.58
GAA P10253 1/20 0.58
TDP1 Q9NUW8 1/20 0.55
MAPK1 P28482 1/20 0.53

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
SCHEMBL18680334 0.92 RECQL (0.59) RECQLMCL1KCNH3MEN1KMT2A
SCHEMBL13921799 0.88 FCGR3B (0.59) RECQLMCL1KCNH3MEN1KMT2A
SCHEMBL19167235 0.84 KCNH3 (0.63) RECQLMCL1KCNH3
SCHEMBL13420931 0.84 KCNH3 (0.62) RECQLMCL1KCNH3
SCHEMBL13921807 0.82 FCGR3B (0.60) RECQLMCL1KCNH3MEN1KMT2A
SCHEMBL13705650 0.82 RECQL (0.47) RECQLMCL1KCNH3
SCHEMBL3294674 0.81 RECQL (1.00) RECQLMCL1KCNH3TDP1
SCHEMBL12510954 0.80 NPC1 (0.54) RECQLMCL1KCNH3
SCHEMBL13705654 0.80 RECQL (0.47) RECQLMCL1KCNH3
SCHEMBL17577161 0.80 MEN1 (0.79) RECQLMCL1KCNH3MEN1KMT2A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8007546-B2 Treating polyamide fibers before, during or after dyeing with a liquor comprising a derivative of diamino-1,3,5-triazine, triamino-1,3,5-triazine, diaminohalo-1,3-5-triazine, or diaminooxy-1,3,5-triazine; colorfastness HUNTSMAN INTERNATIONAL LLC (US) 2011-08-30 US disclosed
US-8007546-B2 Treating polyamide fibers before, during or after dyeing with a liquor comprising a derivative of diamino-1,3,5-triazine, triamino-1,3,5-triazine, diaminohalo-1,3-5-triazine, or diaminooxy-1,3,5-triazine; colorfastness HUNTSMAN INTERNATIONAL LLC (US) 2011-08-30 US disclosed
US-20080178395-A1 Method of Increasing Depth Shade HUNTSMAN INTERNATIONAL LLC. (TX) 2008-07-31 US disclosed
US-20080178395-A1 Method of Increasing Depth Shade HUNTSMAN INTERNATIONAL LLC. (TX) 2008-07-31 US disclosed