SCHEMBL1923875

SCHEMBL1923875

Fc1ccc(Nc2nc(NCc3cccnc3)nc(Nc3ccc(F)cc3)n2)cc1

nearest known ligand 0.75

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KCNH3 Q9ULD8 12/20 0.71
MEN1 O00255 1/20 0.57
MAPT P10636 1/20 0.57
PABPC1 P11940 1/20 0.57
KMT2A Q03164 1/20 0.57
POLB P06746 1/20 0.56
LTA4H P09960 1/20 0.54
ALDH1A1 P00352 2/20 0.54

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
SCHEMBL1923699 0.86 KCNH3 (0.73) KCNH3LTA4HALDH1A1
SCHEMBL10371775 0.86 LTA4H (0.72) MEN1MAPTPABPC1KMT2APOLB
SCHEMBL1923563 0.83 KCNH3 (0.97) KCNH3
SCHEMBL5015629 0.82 KCNH3 (0.69) KCNH3
SCHEMBL5023655 0.81 KCNH3 (0.68) KCNH3
SCHEMBL30784989 0.80 PKM (0.67) KCNH3MEN1MAPTKMT2ALTA4H
SCHEMBL1923791 0.78 KCNH3 (0.97) KCNH3
SCHEMBL25638651 0.78 LTA4H (0.60) MEN1MAPTPABPC1KMT2APOLB
SCHEMBL22546801 0.77 CYP3A4 (0.63) MEN1MAPTPABPC1KMT2APOLB
SCHEMBL1280999 0.77 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