SCHEMBL5686252

SCHEMBL5686252

C=CCc1ccc(Oc2nc(Nc3ccc(N4CCN(CCC)CC4)cc3)ncc2C(=O)Nc2c(C)cccc2C)c(OC)c1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LCK P06239 6/20 0.58
JAK3 P52333 2/20 0.58
BTK Q06187 1/20 0.58
TNK2 Q07912 1/20 0.58
SRC P12931 10/20 0.48
FGFR1 P11362 3/20 0.48
HCK P08631 1/20 0.46
MAP3K7 O43318 2/20 0.46
MAPK1 P28482 2/20 0.46
MAP2K1 Q02750 2/20 0.46
KDR P35968 2/20 0.45
MAPK14 Q16539 2/20 0.45
TEK Q02763 1/20 0.44
BRD4 O60885 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
SCHEMBL4480775 0.93 LCK (0.59) LCKJAK3BTKTNK2SRC
SCHEMBL5686436 0.92 LCK (0.61) LCKJAK3BTKTNK2SRC
SCHEMBL4507641 0.90 LCK (0.57) LCKJAK3BTKTNK2SRC
SCHEMBL5686185 0.89 LCK (0.57) LCKJAK3BTKTNK2SRC
SCHEMBL5688959 0.88 LCK (0.71) LCKJAK3BTKTNK2SRC
SCHEMBL4492079 0.88 LCK (0.60) LCKJAK3BTKTNK2SRC
SCHEMBL4487653 0.88 LCK (0.59) LCKJAK3BTKTNK2SRC
SCHEMBL5686293 0.87 LCK (0.56) LCKJAK3BTKTNK2SRC
SCHEMBL4506388 0.87 LCK (0.58) LCKJAK3BTKTNK2SRC
SCHEMBL4493453 0.87 LCK (0.63) 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 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