SCHEMBL5688971

SCHEMBL5688971

CCCN1CCC(c2ccc(Nc3ncc(C(=O)Nc4c(C)cccc4C)c(Oc4ccccc4OCC)n3)cc2)CC1

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BTK Q06187 3/20 0.67
TNK2 Q07912 2/20 0.67
LCK P06239 1/20 0.67
JAK3 P52333 1/20 0.67
STAT6 P42226 1/20 0.42
PTK2 Q05397 2/20 0.41
JAK2 O60674 1/20 0.41
SRC P12931 3/20 0.41
SIK1 P57059 2/20 0.40
SIK2 Q9H0K1 2/20 0.40
SIK3 Q9Y2K2 2/20 0.40
CSF1R P07333 1/20 0.39
PTPN11 Q06124 1/20 0.39

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
SCHEMBL4499920 0.93 BTK (0.70) BTKTNK2LCKJAK3STAT6
SCHEMBL4484038 0.92 JAK3 (0.62) BTKTNK2LCKJAK3STAT6
SCHEMBL4500759 0.90 BTK (0.67) BTKTNK2LCKJAK3STAT6
SCHEMBL5689444 0.88 LCK (0.81) BTKTNK2LCKJAK3SRC
SCHEMBL5686089 0.87 BTK (0.51) BTKTNK2LCKJAK3STAT6
SCHEMBL4506260 0.84 LCK (0.69) BTKTNK2LCKJAK3SRC
SCHEMBL5689194 0.83 LCK (0.72) BTKTNK2LCKJAK3SRC
SCHEMBL4501630 0.83 JAK3 (0.68) BTKTNK2LCKJAK3JAK2
SCHEMBL4504109 0.82 LCK (0.84) BTKTNK2LCKJAK3SRC
SCHEMBL4486459 0.82 LCK (0.78) BTKTNK2LCKJAK3SRC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1648464-A1 2-AMINO-4-HYDROXY-5-PYRIMIDINCARBOXAMID DERIVATIVES AND RELATED COMPOUNDS AS T-CELL ACTIVATION INHIBITORS FOR THE TREATMENT OF INFLAMMATIONS AMGEN INC. (US) 2006-04-26 EP disclosed
WO-2005009443-A1 2-AMINO-4-HYDROXY-5-PYRIMIDINECARBOXAMIDE DERIVATIVES AND RELATED COMPOUNDS AS INHIBITORS OF T CELL ACTIVATION FOR THE TREATMENT OF INFLAMMATORY DISEASES AMGEN INC. (US) 2005-02-03 WO disclosed