SCHEMBL1923558

SCHEMBL1923558

Fc1cc(CNc2nc(Nc3ccccc3)nc(Nc3ccc(Cl)cc3)n2)ccn1

nearest known ligand 0.82

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KCNH3 Q9ULD8 17/20 0.82
SLC2A1 P11166 1/20 0.57
KDM4E B2RXH2 1/20 0.49
LMNA P02545 1/20 0.49
PLA2G1B P04054 1/20 0.49
MAPT P10636 1/20 0.49
HTT P42858 1/20 0.49
ATG4B Q9Y4P1 1/20 0.49

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
SCHEMBL1923404 0.91 KCNH3 (0.98) KCNH3SLC2A1
Hydrochloric Acid SCHEMBL3413499 0.90 KCNH3 (1.00) KCNH3SLC2A1
SCHEMBL1281719 0.90 KCNH3 (0.97) KCNH3
SCHEMBL5015531 0.89 KCNH3 (0.78) KCNH3SLC2A1MAPT
Hydrochloric Acid SCHEMBL541197 0.89 KCNH3 (1.00) KCNH3
SCHEMBL5015077 0.88 KCNH3 (0.82) KCNH3KDM4ELMNAMAPTHTT
SCHEMBL1924396 0.85 KCNH3 (0.83) KCNH3SLC2A1MAPT
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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1479397-B1 2,4,6-TRIAMINO-1,3,5-TRIAZINE DERIVATIVE ASTELLAS PHARMA INC (JP) 2011-06-08 EP claimed
US-7375222-B2 2,4,6-Triamino-1,3,5-triazine derivative ASTELLAS PHARMA INC. (JP) 2008-05-20 US claimed