SCHEMBL20008621

SCHEMBL20008621

CSC(=N)/C(=C\C(=N)c1cc(N)ccc1C)N1CCCC1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.34
MEN1 O00255 4/20 0.34
MAPT P10636 2/20 0.34
THRB P10828 2/20 0.34
ALDH1A1 P00352 2/20 0.34
GAA P10253 2/20 0.34
NR4A1 P22736 1/20 0.34
PTK2B Q14289 1/20 0.34
GFER P55789 2/20 0.32
KDM4E B2RXH2 1/20 0.32
ALOX15 P16050 1/20 0.32
YWHAG P61981 1/20 0.32
HSD17B10 Q99714 1/20 0.32
MAPK1 P28482 2/20 0.32
HTT P42858 1/20 0.32
RAD52 P43351 1/20 0.30
CYP3A4 P08684 1/20 0.30
TSHR P16473 1/20 0.30
CASP1 P29466 1/20 0.30
CHRNB2 P17787 1/20 0.30

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
SCHEMBL20008223 0.69 TP53 (0.39) KMT2AMEN1GAACYP3A4TSHR
SCHEMBL17774812 0.68 HPGD (0.55) KMT2AMEN1MAPTTHRBALDH1A1
SCHEMBL10126592 0.67 HPGD (0.54) KMT2AMEN1MAPTTHRBALDH1A1
SCHEMBL29451263 0.67 HPGD (0.54) KMT2AMEN1MAPTTHRBALDH1A1
SCHEMBL20008272 0.67 TP53 (0.40) KMT2AMEN1MAPTALDH1A1HTT
SCHEMBL20008773 0.65 CASP1 (0.42) KMT2AMEN1MAPTTHRBALDH1A1
SCHEMBL22453934 0.63 MEN1 (0.44) KMT2AMEN1MAPTTHRBALDH1A1
SCHEMBL6761756 0.61 CASP1 (0.45) KMT2AMEN1MAPTTHRBALDH1A1
SCHEMBL3401840 0.60 HPGD (0.55) KMT2AMEN1MAPTTHRBALDH1A1
SCHEMBL16215495 0.60 RAD52 (0.38) KMT2AMEN1MAPTTHRBALDH1A1

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
EP-3299367-A1 BIARYL AMIDE COMPOUNDS AS KINASE INHIBITORS Novartis AG (CH) 2018-03-28 EP disclosed