SCHEMBL5686972

SCHEMBL5686972

CCCNC(=O)c1ccc(Oc2nc(Nc3ccc(OCCCN4CCN(C)CC4)c(F)c3)ncc2C(=O)Nc2c(C)cccc2C)c(Cl)c1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LCK P06239 5/20 0.45
JAK3 P52333 3/20 0.45
BTK Q06187 2/20 0.45
TNK2 Q07912 2/20 0.45
SRC P12931 8/20 0.44
KDR P35968 3/20 0.44
SIK1 P57059 2/20 0.44
SIK2 Q9H0K1 2/20 0.44
SIK3 Q9Y2K2 2/20 0.44
MAPK14 Q16539 2/20 0.44
KDM4E B2RXH2 1/20 0.43
GAA P10253 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CSF1R P07333 2/20 0.41
MET P08581 2/20 0.41
TEK Q02763 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
SCHEMBL4487526 0.95 LCK (0.47) LCKJAK3BTKTNK2SRC
SCHEMBL5686224 0.95 TNK2 (0.47) LCKJAK3BTKTNK2SRC
SCHEMBL5686564 0.93 LCK (0.48) LCKJAK3BTKTNK2SRC
SCHEMBL4496582 0.91 SIK1 (0.46) LCKJAK3BTKTNK2SRC
SCHEMBL4490736 0.90 SIK1 (0.49) LCKJAK3BTKTNK2SRC
SCHEMBL4485113 0.90 TNK2 (0.49) LCKJAK3BTKTNK2SRC
SCHEMBL4496586 0.90 SRC (0.46) LCKJAK3BTKTNK2SRC
SCHEMBL5689363 0.90 TNK2 (0.45) LCKJAK3BTKTNK2SRC
SCHEMBL4506876 0.90 SIK1 (0.48) LCKJAK3BTKTNK2SRC
SCHEMBL4497850 0.90 JAK3 (0.48) 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