SCHEMBL5686202

SCHEMBL5686202

CCCN1CCN(CCOc2ccc(Nc3ncc(C(=O)Nc4c(C)cccc4C)c(Oc4ccc(CC(=O)N5CCCC5)cc4Cl)n3)cc2F)CC1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TNK2 Q07912 5/20 0.46
LCK P06239 3/20 0.46
BTK Q06187 3/20 0.46
JAK3 P52333 2/20 0.46
KDR P35968 5/20 0.41
AURKA O14965 1/20 0.41
AURKB Q96GD4 1/20 0.41
MET P08581 4/20 0.40
SIK1 P57059 2/20 0.40
SIK2 Q9H0K1 2/20 0.40
SIK3 Q9Y2K2 2/20 0.40
SRC P12931 1/20 0.40
BRD4 O60885 1/20 0.39
EGFR P00533 1/20 0.39
INSR P06213 1/20 0.39

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
SCHEMBL5686220 0.95 BTK (0.46) TNK2LCKBTKJAK3KDR
SCHEMBL4496954 0.94 TNK2 (0.44) TNK2LCKBTKJAK3KDR
SCHEMBL4504252 0.93 TNK2 (0.45) TNK2LCKBTKJAK3KDR
SCHEMBL4484235 0.93 TNK2 (0.49) TNK2LCKBTKJAK3KDR
SCHEMBL5686330 0.90 TNK2 (0.45) TNK2LCKBTKJAK3KDR
SCHEMBL4484340 0.89 TNK2 (0.47) TNK2LCKBTKJAK3KDR
SCHEMBL4497408 0.89 EGFR (0.44) TNK2LCKBTKJAK3KDR
SCHEMBL5689566 0.88 TNK2 (0.46) TNK2LCKBTKJAK3KDR
SCHEMBL5686276 0.86 BTK (0.45) TNK2LCKBTKJAK3KDR
SCHEMBL4488296 0.86 SIK1 (0.43) TNK2LCKBTKJAK3SIK1

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