SCHEMBL18820790

SCHEMBL18820790

COc1cc(N=Nc2cccc(S(=O)(=O)O)c2)ccc1Nc1nc(NCCS(=O)(=O)O)nc(Nc2ccc(N=Nc3cccc(S(=O)(=O)O)c3)cc2OCCCS(=O)(=O)O)n1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ GBA1 P04062 10/20 0.39
▸ PTK2 Q05397 2/20 0.35
▸ LRRK2 Q5S007 2/20 0.35
▸ EGFR P00533 2/20 0.34
▸ LMNA P02545 1/20 0.34
▸ PHLPP2 Q6ZVD8 1/20 0.33
▸ RAD52 P43351 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
SCHEMBL13201661 0.98 GBA1 (0.37) GBA1PTK2LRRK2EGFRLMNA
SCHEMBL12580674 0.93 LMNA (0.34) GBA1PTK2LRRK2EGFRLMNA
SCHEMBL12432078 0.91 GBA1 (0.33) GBA1PTK2LRRK2EGFR
SCHEMBL12330360 0.88 ALK (0.33) PTK2LRRK2EGFRPHLPP2RAD52
SCHEMBL13201667 0.87 PTPN11 (0.38) GBA1PHLPP2
SCHEMBL13856900 0.87 PTPN11 (0.35) —
SCHEMBL13201668 0.87 GBA1 (0.33) GBA1PTK2LRRK2EGFRPHLPP2
SCHEMBL12580672 0.86 RAD52 (0.32) PTK2LRRK2EGFRRAD52
SCHEMBL10155970 0.86 GBA1 (0.49) GBA1RAD52
SCHEMBL13218942 0.86 PHLPP2 (0.34) PTK2EGFRPHLPP2RAD52

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9956761-B2 Ink, ink cartridge, and ink jet recording method CANON KABUSHIKI KAISHA (JP) 2018-05-01 — — US disclosed
US-20170183526-A1 INK, INK CARTRIDGE, AND INK JET RECORDING METHOD CANON KABUSHIKI KAISHA (JP) 2017-06-29 — — US disclosed
US-20170120592-A1 INK JET RECORDING METHOD AND INK JET RECORDING APPARATUS CANON KABUSHIKI KAISHA (JP) 2017-05-04 — — US disclosed
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