SCHEMBL3854589

SCHEMBL3854589

COC(=O)c1ccn(-c2cccc(C)c2)n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.56
MEN1 O00255 2/20 0.56
GAA P10253 2/20 0.49
ALDH1A1 P00352 3/20 0.47
POLB P06746 2/20 0.47
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA9 Q16790 1/20 0.45
TP53 P04637 1/20 0.44
NPC1 O15118 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
KDM4E B2RXH2 1/20 0.42
HPGD P15428 1/20 0.42
SCN9A Q15858 1/20 0.42
RPA1 P27694 1/20 0.42
F2 P00734 1/20 0.41
PLAU P00749 1/20 0.41
ELANE P08246 1/20 0.41
RAB9A P51151 1/20 0.41

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
SCHEMBL17005447 0.86 GAA (0.48) KMT2AMEN1GAAALDH1A1POLB
SCHEMBL23024014 0.86 MEN1 (0.52) KMT2AMEN1GAAALDH1A1TP53
SCHEMBL30535672 0.83 TP53 (0.51) KMT2AMEN1GAAALDH1A1POLB
SCHEMBL25350324 0.83 TP53 (0.51) KMT2AMEN1GAAALDH1A1POLB
SCHEMBL13832650 0.83 GAA (0.66) KMT2AMEN1GAAALDH1A1POLB
SCHEMBL10258336 0.82 KMT2A (0.74) KMT2AMEN1GAAALDH1A1POLB
SCHEMBL9682529 0.82 ALDH1A1 (0.67) KMT2AMEN1GAAALDH1A1POLB
SCHEMBL25703615 0.79 IRAK4 (0.46) KMT2AMEN1GAAALDH1A1POLB
SCHEMBL25077939 0.78 GAA (0.53) KMT2AMEN1GAAALDH1A1TP53
SCHEMBL31587212 0.77 KMT2A (0.52) KMT2AMEN1GAAALDH1A1POLB

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-2102165-A2 N-(METHYL)-1H-PYRAZOL-3-AMINE, N-(METHYL)-PYRIDIN-2-AMINE AND N-(METHYL)-THIAZOL-2-AMINE DERIVATIVES FOR THE TREATMENT OF DISEASES ASSOCIATED WITH AMYLOID OR AMYLOID-LIKE PROTEINS, LIKE E.G. ALZHEIMER'S AC Immune S.A. (CH) 2009-09-23 EP disclosed
WO-2008061795-A2 N- (METHYL) -1H- PYRAZOL- 3 -AMINE, N- (METHYL) -PYRIDIN-2-AMINE AND N- (METHYL) -THIAZ0L-2-AMINE DERIVATIVES FOR THE TREATMENT OF DISEASES ASSOCIATED WITH AMYLOID OR AMYLOID-LIKE PROTEINS, LIKE E.G. ALZHEIMER'S AC IMMUNE SA (CH) 2008-05-29 WO disclosed