SCHEMBL5689100

SCHEMBL5689100

CCCN1CCN(c2ccc(Nc3ncc(C(=O)Nc4c(C)cccc4C)c(Oc4ccc(OCCN(CC)CC)cc4OC)n3)cc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LCK P06239 9/20 0.56
JAK3 P52333 2/20 0.56
BTK Q06187 1/20 0.56
TNK2 Q07912 1/20 0.56
EGFR P00533 1/20 0.43
SRC P12931 10/20 0.43
KDR P35968 4/20 0.43
MAPK14 Q16539 4/20 0.43
SIK1 P57059 1/20 0.43
MELK Q14680 1/20 0.43
SIK2 Q9H0K1 1/20 0.43
SIK3 Q9Y2K2 1/20 0.43
FGFR1 P11362 2/20 0.43
TEK Q02763 1/20 0.43
WEE1 P30291 2/20 0.42
NTRK1 P04629 1/20 0.42
LYN P07948 1/20 0.42
SYK P43405 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
SCHEMBL4500816 0.95 LCK (0.55) LCKJAK3BTKTNK2EGFR
SCHEMBL4498581 0.94 LCK (0.54) LCKJAK3BTKTNK2EGFR
SCHEMBL4491459 0.91 LCK (0.56) LCKJAK3BTKTNK2EGFR
SCHEMBL5689155 0.90 LCK (0.58) LCKJAK3BTKTNK2EGFR
SCHEMBL5688959 0.87 LCK (0.71) LCKJAK3BTKTNK2SRC
SCHEMBL5686436 0.86 LCK (0.61) LCKJAK3BTKTNK2SRC
SCHEMBL4495355 0.86 LCK (0.56) LCKJAK3BTKTNK2EGFR
SCHEMBL5686185 0.85 LCK (0.57) LCKJAK3BTKTNK2EGFR
SCHEMBL4498974 0.85 JAK3 (0.59) LCKJAK3BTKTNK2EGFR
SCHEMBL4486758 0.85 LCK (0.53) LCKJAK3BTKTNK2EGFR

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