SCHEMBL3459766

SCHEMBL3459766

Brc1ccc(/C2=C3\C=CC(N3)/C(c3ccncc3)=c3/cc/c([nH]3)=C(\c3ccncc3)C3C=C/C(=C(\c4ccncc4)c4ccc2[nH]4)N3)cc1

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ GCGR P47871 4/20 0.32
▸ MAPK14 Q16539 3/20 0.32
▸ CDC7 O00311 1/20 0.32
▸ MAPK13 O15264 2/20 0.30
▸ MAPK12 P53778 2/20 0.30
▸ MAPK11 Q15759 2/20 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
SCHEMBL8031979 0.93 — —
SCHEMBL859361 0.93 GCGR (0.33) GCGR
SCHEMBL7705568 0.88 TOP1 (0.34) GCGRMAPK14MAPK13MAPK12MAPK11
SCHEMBL17442978 0.79 — —
SCHEMBL1538022 0.77 — —
SCHEMBL5384591 0.76 CYP3A4 (0.34) —
SCHEMBL14076169 0.72 — —
SCHEMBL6036896 0.71 — —
SCHEMBL8082650 0.69 — —
SCHEMBL17366427 0.65 — —

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-2230242-B1 Synthesis of new asymmetrically meso-substituted water-soluble porphyrins acting as cytostatic agents JOHANNES KEPLER UNI (AT) 2013-08-14 — — EP disclosed
EP-2230242-A1 Synthesis of new asymmetrically meso-substituted water-soluble porphyrins acting as cytostatic agents Johannes Kepler Universität (AT) 2010-09-22 — — EP disclosed
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