SCHEMBL5686268

SCHEMBL5686268

CCCN1CCN(CCOc2ccc(Nc3ncc(C(=O)Nc4c(C)cccc4C)c(Oc4ccc(C(=O)N(CC)CC)cc4Cl)n3)cc2F)CC1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LCK P06239 4/20 0.45
TNK2 Q07912 4/20 0.45
BTK Q06187 3/20 0.45
JAK3 P52333 2/20 0.45
MET P08581 5/20 0.41
KDR P35968 5/20 0.41
SRC P12931 4/20 0.41
SIK1 P57059 2/20 0.40
SIK2 Q9H0K1 2/20 0.40
SIK3 Q9Y2K2 2/20 0.40
INSR P06213 1/20 0.39
MAPK14 Q16539 1/20 0.38
FGFR1 P11362 1/20 0.38

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
SCHEMBL4495262 0.94 LCK (0.43) LCKTNK2BTKJAK3MET
SCHEMBL4496586 0.93 SRC (0.46) LCKTNK2BTKJAK3MET
SCHEMBL5686467 0.93 LCK (0.47) LCKTNK2BTKJAK3MET
SCHEMBL4506311 0.92 TNK2 (0.47) LCKTNK2BTKJAK3MET
SCHEMBL5689566 0.91 TNK2 (0.46) LCKTNK2BTKJAK3MET
SCHEMBL5686330 0.90 TNK2 (0.45) LCKTNK2BTKJAK3MET
SCHEMBL5689363 0.90 TNK2 (0.45) LCKTNK2BTKJAK3MET
SCHEMBL5686240 0.89 JAK3 (0.48) LCKTNK2BTKJAK3MET
SCHEMBL4508695 0.89 LCK (0.47) LCKTNK2BTKJAK3MET
SCHEMBL5686276 0.89 BTK (0.45) LCKTNK2BTKJAK3MET

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