SCHEMBL5017707

SCHEMBL5017707

c1ccc(Nc2nc(NCCc3ccncc3)nc(Nc3ccccc3)n2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KCNH3 Q9ULD8 15/20 1.00
ROCK1 Q13464 1/20 0.62
RECQL P46063 1/20 0.59
MCL1 Q07820 1/20 0.59
FCGR3B O75015 1/20 0.50
FCGR1A P12314 1/20 0.50
FCGR2A P12318 1/20 0.50

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
SCHEMBL1924273 0.85 KCNH3 (1.00) KCNH3ROCK1RECQLMCL1
SCHEMBL13421020 0.82 KCNH3 (0.69) KCNH3RECQLMCL1FCGR3BFCGR1A
SCHEMBL13420924 0.82 KCNH3 (0.69) KCNH3RECQLMCL1FCGR3BFCGR1A
SCHEMBL2569220 0.81 L3MBTL1 (0.70) KCNH3
SCHEMBL13421016 0.80 KCNH3 (0.66) KCNH3RECQLMCL1FCGR3BFCGR1A
SCHEMBL1923769 0.79 KCNH3 (0.67) KCNH3RECQLMCL1
SCHEMBL4544863 0.79 KCNH3 (0.70) KCNH3RECQLMCL1
SCHEMBL22151175 0.79 APP (0.64) KCNH3
SCHEMBL13421047 0.79 KCNH3 (0.64) KCNH3RECQLMCL1FCGR3BFCGR1A
SCHEMBL19598922 0.77 KCNH3 (0.63) KCNH3RECQLMCL1FCGR3BFCGR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7375222-B2 2,4,6-Triamino-1,3,5-triazine derivative ASTELLAS PHARMA INC. (JP) 2008-05-20 US claimed