SCHEMBL5017676

SCHEMBL5017676

COc1ccc(Nc2nc(NCc3ccnnc3)nc(Nc3ccc(F)cc3)n2)cc1

nearest known ligand 0.69

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KCNH3 Q9ULD8 16/20 0.69
ALDH1A1 P00352 1/20 0.47
MEN1 O00255 1/20 0.47
GAA P10253 1/20 0.47
KMT2A Q03164 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
MAPT P10636 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL5015629 0.90 KCNH3 (0.69) KCNH3
SCHEMBL5023655 0.85 KCNH3 (0.68) KCNH3
SCHEMBL1923730 0.82 KCNH3 (0.98) KCNH3ALDH1A1MEN1KMT2AMAPT
Hydrochloric Acid SCHEMBL3411999 0.81 KCNH3 (1.00) KCNH3
SCHEMBL1282182 0.79 KCNH3 (1.00) KCNH3ALDH1A1MEN1GAAKMT2A
SCHEMBL1923780 0.75 KCNH3 (0.81) KCNH3ALDH1A1MEN1GAAKMT2A
SCHEMBL1923563 0.75 KCNH3 (0.97) KCNH3
SCHEMBL1924396 0.74 KCNH3 (0.83) KCNH3ALDH1A1MEN1GAAKMT2A
SCHEMBL1923561 0.74 KCNH3 (0.98) KCNH3
SCHEMBL1923875 0.74 KCNH3 (0.71) KCNH3ALDH1A1MEN1KMT2AMAPT

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