SCHEMBL12330360

SCHEMBL12330360

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

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALK Q9UM73 6/20 0.33
▸ PTK2 Q05397 4/20 0.33
▸ EGFR P00533 3/20 0.33
▸ ROS1 P08922 2/20 0.33
▸ BMPR1B O00238 1/20 0.33
▸ PLK4 O00444 1/20 0.33
▸ GAK O14976 1/20 0.33
▸ ERN1 O75460 1/20 0.33
▸ STK10 O94804 1/20 0.33
▸ ABL1 P00519 1/20 0.33
▸ INSR P06213 1/20 0.33
▸ LCK P06239 1/20 0.33
▸ FYN P06241 1/20 0.33
▸ NPM1 P06748 1/20 0.33
▸ FES P07332 1/20 0.33
▸ YES1 P07947 1/20 0.33
▸ IGF1R P08069 1/20 0.33
▸ HCK P08631 1/20 0.33
▸ NQO2 P16083 1/20 0.33
▸ FER P16591 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
SCHEMBL13218942 0.98 PHLPP2 (0.34) ALKPTK2EGFRROS1BMPR1B
SCHEMBL13219057 0.98 PHLPP2 (0.36) ALKPTK2EGFRROS1BMPR1B
SCHEMBL12580803 0.98 PHLPP2 (0.36) ALKPTK2EGFRROS1BMPR1B
SCHEMBL12580671 0.98 ALK (0.32) ALKPTK2EGFRROS1BMPR1B
SCHEMBL13219050 0.94 PHLPP2 (0.34) ALKPTK2EGFRROS1BMPR1B
SCHEMBL13219166 0.94 FUT8 (0.36) ALKPTK2EGFRROS1BMPR1B
SCHEMBL13218922 0.94 ENPP2 (0.35) ALKPTK2EGFRROS1BMPR1B
SCHEMBL13219289 0.93 BRD4 (0.33) GAAMAPTMAPK1KMT2ATDP1
SCHEMBL13219290 0.93 CHAT (0.33) GAAMAPTMAPK1KMT2ATDP1
SCHEMBL13219119 0.93 ENPP2 (0.40) ALKPTK2EGFRROS1BMPR1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110216117-A1 WATER-SOLUBLE AZO COMPOUND OR SALT THEREOF, INK COMPOSITION, AND COLORED MATTER NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2011-09-08 — — US disclosed
US-20110141186-A1 INK SET, INK CARTRIDGE, INK JET RECORDING METHOD, AND INK JET RECORDING APPARATUS CANON KABUSHIKI KAISHA (JP) 2011-06-16 — — US disclosed
US-7771525-B2 Water-soluble azo compound or salt thereof, ink composition and colored product NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2010-08-10 — — US disclosed
US-20100068475-A1 WATER-SOLUBLE AZO COMPOUND OR SALT THEREOF, INK COMPOSITION AND COLORED PRODUCT NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2010-03-18 — — US disclosed
US-7553358-B2 Ink jet ink, ink jet recording method, ink cartridge, recording unit and ink jet recording apparatus CANON KABUSHIKI KAISHA (JP) 2009-06-30 — — US disclosed
US-20080274285-A1 INK JET INK, INK JET RECORDING METHOD, INK CARTRIDGE, RECORDING UNIT AND INK JET RECORDING APPARATUS CANON KABUSHIKI KAISHA (JP) 2008-11-06 — — US disclosed
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