SCHEMBL5689097

SCHEMBL5689097

CCCN1CCN(c2ccc(Nc3ncc(C(=O)Nc4c(C)cccc4C)c(Oc4ccc(CC(=O)N(CC)CC)cc4Cl)n3)cc2)CC1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LCK P06239 3/20 0.57
JAK3 P52333 2/20 0.57
TNK2 Q07912 2/20 0.57
BTK Q06187 1/20 0.57
SRC P12931 9/20 0.48
HCK P08631 1/20 0.45
FGFR1 P11362 1/20 0.45
MAP3K7 O43318 3/20 0.44
MAP2K1 Q02750 3/20 0.44
MT-CO2 P00403 1/20 0.43
BRD4 O60885 1/20 0.42
JAK2 O60674 1/20 0.42
EGFR P00533 1/20 0.42
BLK P51451 1/20 0.42
BMX P51813 1/20 0.42
MAPK1 P28482 1/20 0.42
FLT3 P36888 1/20 0.42

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
SCHEMBL4498483 0.94 JAK3 (0.59) LCKJAK3TNK2BTKSRC
SCHEMBL4489980 0.93 LCK (0.54) LCKJAK3TNK2BTKSRC
SCHEMBL4491122 0.91 LCK (0.57) LCKJAK3TNK2BTKSRC
SCHEMBL5689458 0.90 LCK (0.55) LCKJAK3TNK2BTKSRC
SCHEMBL4495744 0.85 SIK1 (0.55) LCKJAK3TNK2BTKSRC
SCHEMBL4484923 0.85 LCK (0.45) LCKJAK3TNK2BTKSRC
SCHEMBL5689155 0.84 LCK (0.58) LCKJAK3TNK2BTKSRC
SCHEMBL4490885 0.84 LCK (0.55) LCKJAK3TNK2BTKSRC
SCHEMBL4485171 0.84 LCK (0.53) LCKJAK3TNK2BTKSRC
SCHEMBL4507650 0.84 JAK3 (0.59) LCKJAK3TNK2BTKSRC

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