SCHEMBL5686185

SCHEMBL5686185

CCCCOCc1ccc(Oc2nc(Nc3ccc(N4CCN(CCC)CC4)cc3)ncc2C(=O)Nc2c(C)cccc2C)c(OC)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 8/20 0.57
JAK3 P52333 2/20 0.57
BTK Q06187 1/20 0.57
TNK2 Q07912 1/20 0.57
KDR P35968 2/20 0.44
MAPK14 Q16539 2/20 0.44
TEK Q02763 1/20 0.44
SRC P12931 7/20 0.44
FGFR1 P11362 3/20 0.43
SYK P43405 1/20 0.43
EGFR P00533 1/20 0.42
ABCB1 P08183 2/20 0.42
CYP3A4 P08684 2/20 0.42
CYP2C8 P10632 2/20 0.42
CYP2C19 P33261 2/20 0.42
NTRK1 P04629 1/20 0.41
LYN P07948 1/20 0.41
BRD4 O60885 1/20 0.41
HCK P08631 1/20 0.41
CYP1A2 P05177 1/20 0.41

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
SCHEMBL4488497 0.95 LCK (0.58) LCKJAK3BTKTNK2KDR
SCHEMBL4506890 0.94 LCK (0.54) LCKJAK3BTKTNK2KDR
SCHEMBL4489960 0.92 LCK (0.56) LCKJAK3BTKTNK2KDR
SCHEMBL5686436 0.91 LCK (0.61) LCKJAK3BTKTNK2KDR
SCHEMBL5686252 0.89 LCK (0.58) LCKJAK3BTKTNK2KDR
SCHEMBL4492079 0.88 LCK (0.60) LCKJAK3BTKTNK2KDR
SCHEMBL5688959 0.87 LCK (0.71) LCKJAK3BTKTNK2KDR
SCHEMBL4487653 0.86 LCK (0.59) LCKJAK3BTKTNK2KDR
SCHEMBL4503636 0.86 LCK (0.46) LCKJAK3BTKTNK2KDR
SCHEMBL4490463 0.86 LCK (0.49) LCKJAK3BTKTNK2KDR

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 4 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 claimed
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 claimed
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