SCHEMBL1740982

SCHEMBL1740982

CN1C(C)(C)CC(Nc2nc(Nc3cc(F)c(OC4CCN(CC=O)CC4)c(F)c3)ncc2F)CC1(C)C

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PRKCQ Q04759 2/20 0.49
EGFR P00533 16/20 0.41
BTK Q06187 6/20 0.41
ITK Q08881 4/20 0.40
AXL P30530 1/20 0.37
FLT3 P36888 1/20 0.37
TYRO3 Q06418 1/20 0.37
MERTK Q12866 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
SCHEMBL1739951 0.97 PRKCQ (0.47) PRKCQEGFRBTKITK
SCHEMBL1740823 0.91 EGFR (0.41) PRKCQEGFRBTKITKAXL
SCHEMBL1740232 0.90 EGFR (0.49) PRKCQEGFRBTKITKAXL
SCHEMBL1739938 0.89 PRKCQ (0.50) PRKCQEGFRBTKITKAXL
SCHEMBL1741130 0.88 EGFR (0.42) PRKCQEGFRBTKITK
SCHEMBL1740268 0.86 PRKCQ (0.45) PRKCQEGFRBTKITK
SCHEMBL1740980 0.85 PRKCQ (0.50) PRKCQEGFRBTKITK
SCHEMBL3506604 0.85 PRKCQ (0.50) PRKCQEGFRBTKITK
SCHEMBL1740857 0.84 PRKCQ (0.53) PRKCQEGFRBTKITKAXL
SCHEMBL1742617 0.83 EGFR (0.45) PRKCQEGFRBTKITK

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