SCHEMBL5686255

SCHEMBL5686255

CCCN1CCN(C(=O)c2ccc(Oc3nc(Nc4ccc(N5CCN(C)C(C)C5)c(F)c4)ncc3C(=O)Nc3c(C)cccc3C)c(Cl)c2)CC1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SIK1 P57059 2/20 0.48
SIK2 Q9H0K1 2/20 0.48
SIK3 Q9Y2K2 2/20 0.48
JAK3 P52333 4/20 0.43
TNK2 Q07912 2/20 0.43
BTK Q06187 2/20 0.43
LCK P06239 2/20 0.43
EGFR P00533 2/20 0.41
CSF1R P07333 1/20 0.40
SRC P12931 5/20 0.39
PAK1 Q13153 1/20 0.39
BRD4 O60885 2/20 0.38
JAK1 P23458 2/20 0.38
NTRK1 P04629 1/20 0.38
FLT3 P36888 1/20 0.37
SYK P43405 1/20 0.37
KDR P35968 1/20 0.36
TEK Q02763 1/20 0.36
MAPK14 Q16539 1/20 0.36

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
SCHEMBL4509255 0.93 SIK1 (0.51) SIK1SIK2SIK3JAK3TNK2
SCHEMBL4496744 0.91 SIK1 (0.49) SIK1SIK2SIK3JAK3TNK2
SCHEMBL4495399 0.91 SIK1 (0.48) SIK1SIK2SIK3JAK3TNK2
SCHEMBL4497691 0.88 SIK1 (0.49) SIK1SIK2SIK3JAK3TNK2
SCHEMBL5689566 0.88 TNK2 (0.46) SIK1SIK2SIK3JAK3TNK2
SCHEMBL4502497 0.87 SIK1 (0.48) SIK1SIK2SIK3JAK3TNK2
SCHEMBL4501384 0.86 SIK1 (0.52) SIK1SIK2SIK3JAK3TNK2
SCHEMBL5689749 0.86 SIK1 (0.43) SIK1SIK2SIK3JAK3TNK2
SCHEMBL5686330 0.85 TNK2 (0.45) SIK1SIK2SIK3JAK3TNK2
SCHEMBL4495398 0.85 SIK1 (0.49) SIK1SIK2SIK3JAK3TNK2

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