SCHEMBL5486318

SCHEMBL5486318

Nc1cccc(Nc2nccc3c(-c4cccc(O)c4)cccc23)c1.Oc1cccc(-c2cccc3c(Nc4ccc5[nH]cnc5c4)nccc23)c1.Oc1cccc(-c2cccc3c(Nc4ccc5ncsc5c4)nccc23)c1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 1/20 0.40
RIPK2 O43353 7/20 0.39
BRAF P15056 4/20 0.36
RAF1 P04049 2/20 0.36
PRKD1 Q15139 1/20 0.36
RIPK3 Q9Y572 3/20 0.35
TGFBR1 P36897 1/20 0.35
TTBK1 Q5TCY1 1/20 0.34
TTBK2 Q6IQ55 1/20 0.34
TOP2A P11388 2/20 0.33
IKBKB O14920 2/20 0.33
CHUK O15111 1/20 0.33

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
SCHEMBL5440933 0.86 CDC7 (0.43) LRRK2BRAFRAF1TTBK1TTBK2
SCHEMBL5450874 0.86 LRRK2 (0.46) LRRK2RIPK2BRAFRAF1PRKD1
SCHEMBL5440941 0.80 BRAF (0.45) BRAFRAF1TTBK1TTBK2
SCHEMBL5448685 0.79 BRAF (0.49) BRAFRAF1TTBK1TTBK2
SCHEMBL5450861 0.70 ABCG2 (0.53) BRAFRAF1
SCHEMBL5437478 0.69 ABCG2 (0.48) BRAFRAF1TGFBR1
SCHEMBL7127026 0.69 AHR (0.53) BRAF
SCHEMBL5437465 0.67 BRAF (0.45) BRAFRAF1TTBK1TTBK2
SCHEMBL5448682 0.67 BRAF (0.43) BRAFRAF1TTBK1TTBK2
SCHEMBL5441105 0.66 IKBKB (0.47) BRAFRAF1IKBKBCHUK

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2007511570-A 2007-05-10 JP claimed
EP-1689718-A1 1-AMINO-ISOQUINOLINE DERIVATIVES FOR THE TREATMENT OF DISEASES ASSOCIATED WITH INAPPROPRIATE ALK5 ACTIVITY GLAXO GROUP LIMITED (GB) 2006-08-16 EP claimed
WO-2005049577-A1 1-AMINO-ISOQUINOLINE DERIVATIVES FOR THE TREATMENT OF DISEASES ASSOCIATED WITH INAPPROPRIATE ALK5 GLAXO GROUP LIMITED (GB) 2005-06-02 WO claimed
EP-1689718-A1 1-AMINO-ISOQUINOLINE DERIVATIVES FOR THE TREATMENT OF DISEASES ASSOCIATED WITH INAPPROPRIATE ALK5 ACTIVITY GLAXO GROUP LIMITED (GB) 2006-08-16 EP disclosed
WO-2005049577-A1 1-AMINO-ISOQUINOLINE DERIVATIVES FOR THE TREATMENT OF DISEASES ASSOCIATED WITH INAPPROPRIATE ALK5 GLAXO GROUP LIMITED (GB) 2005-06-02 WO disclosed