SCHEMBL5689309

SCHEMBL5689309

CCCN1CCN(c2ccc(Nc3ncc(C(=O)Nc4c(C)cccc4C)c(Oc4cc(CCC(=O)NCc5ccccc5)ccc4OC)n3)cc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 3/20 0.54
JAK3 P52333 2/20 0.54
BTK Q06187 1/20 0.54
TNK2 Q07912 1/20 0.54
SRC P12931 7/20 0.44
KDR P35968 2/20 0.43
MAPK14 Q16539 2/20 0.43
STAT6 P42226 1/20 0.42
SYK P43405 2/20 0.41
FGFR1 P11362 3/20 0.41
TEK Q02763 1/20 0.41
HCK P08631 1/20 0.40
ABCB1 P08183 2/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2C8 P10632 2/20 0.40
CYP2C19 P33261 2/20 0.40
EGFR P00533 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40

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
SCHEMBL4489908 0.94 LCK (0.55) LCKJAK3BTKTNK2SRC
SCHEMBL4487382 0.91 LCK (0.53) LCKJAK3BTKTNK2SRC
SCHEMBL5686436 0.88 LCK (0.61) LCKJAK3BTKTNK2SRC
SCHEMBL4482504 0.88 BTK (0.47) LCKJAK3BTKTNK2
SCHEMBL5686443 0.87 LCK (0.54) LCKJAK3BTKTNK2SRC
SCHEMBL5686293 0.86 LCK (0.56) LCKJAK3BTKTNK2SRC
SCHEMBL5688959 0.86 LCK (0.71) LCKJAK3BTKTNK2SRC
SCHEMBL4484555 0.85 SIK1 (0.55) LCKJAK3BTKTNK2SRC
SCHEMBL4499147 0.85 LCK (0.47) LCKJAK3BTKTNK2SRC
SCHEMBL4492079 0.84 LCK (0.60) LCKJAK3BTKTNK2SRC

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