SCHEMBL5686334

SCHEMBL5686334

CCCN1CCN(c2ccc(Nc3ncc(C(=O)Nc4c(C)cccc4C)c(Oc4ccc(OCc5ccccc5)cc4)n3)cc2)CC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 1/20 0.61
JAK3 P52333 1/20 0.61
BTK Q06187 1/20 0.61
TNK2 Q07912 1/20 0.61
SRC P12931 8/20 0.49
MAPT P10636 3/20 0.47
RAB9A P51151 1/20 0.47
FGFR1 P11362 2/20 0.46
HCK P08631 1/20 0.46
HTT P42858 2/20 0.45
HPGD P15428 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
STAT6 P42226 1/20 0.44
EGFR P00533 1/20 0.44
CDK4 P11802 1/20 0.43
CCND1 P24385 1/20 0.43
KDM4E B2RXH2 1/20 0.43
CSF1R P07333 2/20 0.43

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
SCHEMBL5689367 0.94 JAK3 (0.65) LCKJAK3BTKTNK2SRC
SCHEMBL5686215 0.94 JAK3 (0.66) LCKJAK3BTKTNK2SRC
SCHEMBL4499635 0.93 LCK (0.62) LCKJAK3BTKTNK2SRC
SCHEMBL5689018 0.92 LCK (0.70) LCKJAK3BTKTNK2SRC
SCHEMBL5686861 0.91 LCK (0.62) LCKJAK3BTKTNK2SRC
SCHEMBL4509892 0.89 LCK (0.59) LCKJAK3BTKTNK2SRC
SCHEMBL5689409 0.86 LCK (0.61) LCKJAK3BTKTNK2SRC
SCHEMBL5686295 0.86 LCK (0.69) LCKJAK3BTKTNK2SRC
SCHEMBL5688959 0.86 LCK (0.71) LCKJAK3BTKTNK2SRC
SCHEMBL5689444 0.86 LCK (0.81) 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 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