SCHEMBL1740754

SCHEMBL1740754

CN(c1nc(Nc2ccc3c(c2)OCC(C(=O)N2CCCCC2)O3)ncc1F)C1CC(C)(C)NC(C)(C)C1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.40
POLB P06746 3/20 0.39
TP53 P04637 1/20 0.39
BTK Q06187 2/20 0.39
BMX P51813 1/20 0.39
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
EGFR P00533 2/20 0.37
JAK3 P52333 3/20 0.37
ULK1 O75385 1/20 0.35
LCK P06239 2/20 0.35
MAPK1 P28482 1/20 0.35
CSF1R P07333 1/20 0.34
CDK4 P11802 1/20 0.34
CDK6 Q00534 1/20 0.34
SYK P43405 5/20 0.34

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
SCHEMBL1740932 0.85 BTK (0.51) LMNAPOLBTP53BTKBMX
SCHEMBL3495892 0.79 BTK (0.48) BTKBMXEGFRJAK3LCK
SCHEMBL3503468 0.79 BTK (0.52) BTKBMXEGFRSYK
SCHEMBL3504632 0.78 BTK (0.51) LMNABTKBMXEGFRULK1
SCHEMBL3495703 0.76 BTK (0.46) BTKBMXEGFRULK1SYK
SCHEMBL3493973 0.74 SYK (0.47) BTKBMXEGFRULK1SYK
SCHEMBL3495840 0.73 BTK (0.48) BTKBMXEGFRJAK3LCK
SCHEMBL1740860 0.71 BTK (0.52) BTKBMXEGFRULK1SYK
SCHEMBL1741789 0.70 BMX (0.44) BTKBMXEGFRULK1SYK
SCHEMBL3496363 0.69 PRKCQ (0.48) BTKBMXEGFRULK1SYK

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