SCHEMBL1740232

SCHEMBL1740232

CN1C(C)(C)CC(Nc2nc(Nc3ccc(OC4CCN(CC=O)CC4)c(F)c3)ncc2F)CC1(C)C

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
EGFR P00533 16/20 0.49
PRKCQ Q04759 1/20 0.47
ITK Q08881 5/20 0.43
AXL P30530 1/20 0.42
BTK Q06187 5/20 0.41
BCL6 P41182 1/20 0.41

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
SCHEMBL1740268 0.93 PRKCQ (0.45) EGFRPRKCQITKBTKBCL6
SCHEMBL1741140 0.91 EGFR (0.49) EGFRITKAXLBTKBCL6
SCHEMBL1742617 0.90 EGFR (0.45) EGFRPRKCQITKBTK
SCHEMBL1740982 0.90 PRKCQ (0.49) EGFRPRKCQITKAXLBTK
SCHEMBL1741034 0.89 EGFR (0.48) EGFRPRKCQITKAXLBTK
SCHEMBL1740749 0.88 EGFR (0.49) EGFRPRKCQITKAXLBTK
SCHEMBL1739951 0.87 PRKCQ (0.47) EGFRPRKCQITKBTK
SCHEMBL3504657 0.86 PRKCQ (0.48) EGFRPRKCQITKAXLBTK
SCHEMBL3504889 0.86 EGFR (0.52) EGFRPRKCQITKBTK
SCHEMBL3507872 0.86 PRKCQ (0.49) EGFRPRKCQITKAXLBTK

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