SCHEMBL5015077

SCHEMBL5015077

Cc1ccc(Nc2nc(NCc3ccnc(F)c3)nc(Nc3ccccc3)n2)cc1

nearest known ligand 0.82

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KCNH3 Q9ULD8 19/20 0.82
KDM4E B2RXH2 1/20 0.51
USP2 O75604 1/20 0.51
LMNA P02545 1/20 0.51
MAPT P10636 1/20 0.51
HTT P42858 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51

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
SCHEMBL1923802 0.92 KCNH3 (0.88) KCNH3
SCHEMBL1924293 0.91 KCNH3 (0.98) KCNH3
Hydrochloric Acid SCHEMBL3410329 0.90 KCNH3 (1.00) KCNH3
SCHEMBL1281719 0.90 KCNH3 (0.97) KCNH3
Hydrochloric Acid SCHEMBL541197 0.89 KCNH3 (1.00) KCNH3
SCHEMBL1923558 0.88 KCNH3 (0.82) KCNH3KDM4ELMNAMAPTHTT
SCHEMBL1924396 0.87 KCNH3 (0.83) KCNH3MAPTNPSR1
SCHEMBL5015531 0.87 KCNH3 (0.78) KCNH3MAPT
SCHEMBL1923916 0.84 KCNH3 (0.97) KCNH3
Hydrochloric Acid SCHEMBL3413936 0.83 KCNH3 (1.00) KCNH3

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