SCHEMBL1740796

SCHEMBL1740796

CC1(C)CC(Nc2nc(Nc3ccc(OC4CCN(CC=O)CC4)c(OC(F)F)c3)ncc2F)CC(C)(C)N1

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
EGFR P00533 15/20 0.44
ITK Q08881 5/20 0.40
BTK Q06187 6/20 0.40
ALK Q9UM73 2/20 0.37
BMX P51813 1/20 0.37
BCL6 P41182 1/20 0.37

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
SCHEMBL1740835 0.97 EGFR (0.45) EGFRITKBTKBMX
SCHEMBL1741140 0.93 EGFR (0.49) EGFRITKBTKBMXBCL6
SCHEMBL1740268 0.91 PRKCQ (0.45) EGFRITKBTKALKBMX
SCHEMBL1740234 0.91 EGFR (0.41) EGFRITKBTKALKBCL6
SCHEMBL1740620 0.90 ALK (0.45) EGFRITKBTKALKBCL6
SCHEMBL1740437 0.90 EGFR (0.41) EGFRITKBTKALKBCL6
SCHEMBL1740236 0.90 EGFR (0.44) EGFRITKBTKALK
SCHEMBL1742617 0.89 EGFR (0.45) EGFRITKBTKBMX
SCHEMBL1740959 0.88 EGFR (0.41) EGFRITKBTKALKBMX
SCHEMBL3503580 0.88 ALK (0.45) EGFRITKBTKALKBCL6

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
EP-2389373-A1 DERIVATIVES OF N2-(3-PYRIDIL OR PHENYL)-N4-(4-PIPERIDYL)-2,4-PYRIMIDINEDIAMINE USEFUL IN THE TREATMENT OF INFLAMMATORY, AUTOIMMUNE OR PROLIFERATIVE DISEASES Rigel Pharmaceuticals, Inc. (US) 2011-11-30 EP claimed
US-20110253835-A1 AIRCRAFT INTERIOR LAVATORY BE INTELLECTUAL PROPERTY, INC. (US) 2011-10-20 US claimed
WO-2010090875-A1 DERIVATIVES OF N2-(3-PYRIDIL OR PHENYL)-N4-(4-PIPERIDYL)-2,4-PYRIMIDINEDIAMINE USEFUL IN THE TREATMENT OF INFLAMMATORY, AUTOIMMUNE OR PROLIFERATIVE DISEASES RIGEL PHARMACEUTICALS, INC. (US) 2010-08-12 WO claimed
EP-2389373-A1 DERIVATIVES OF N2-(3-PYRIDIL OR PHENYL)-N4-(4-PIPERIDYL)-2,4-PYRIMIDINEDIAMINE USEFUL IN THE TREATMENT OF INFLAMMATORY, AUTOIMMUNE OR PROLIFERATIVE DISEASES Rigel Pharmaceuticals, Inc. (US) 2011-11-30 EP disclosed
US-20110253835-A1 AIRCRAFT INTERIOR LAVATORY BE INTELLECTUAL PROPERTY, INC. (US) 2011-10-20 US disclosed
WO-2010090875-A1 DERIVATIVES OF N2-(3-PYRIDIL OR PHENYL)-N4-(4-PIPERIDYL)-2,4-PYRIMIDINEDIAMINE USEFUL IN THE TREATMENT OF INFLAMMATORY, AUTOIMMUNE OR PROLIFERATIVE DISEASES RIGEL PHARMACEUTICALS, INC. (US) 2010-08-12 WO disclosed