SCHEMBL5686167

SCHEMBL5686167

CCCOc1ccccc1Oc1nc(Nc2cc(OC)c(OC)c(OCCCN3CCN(C)CC3)c2)ncc1C(=O)Nc1c(C)cccc1C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 11/20 0.53
JAK3 P52333 2/20 0.53
BTK Q06187 2/20 0.53
TNK2 Q07912 1/20 0.53
TBK1 Q9UHD2 1/20 0.48
KDR P35968 12/20 0.47
SRC P12931 9/20 0.47
MAPK14 Q16539 5/20 0.46
JAK2 O60674 1/20 0.46
MET P08581 1/20 0.46
FGFR1 P11362 1/20 0.46
ZAP70 P43403 1/20 0.46
SYK P43405 1/20 0.46
TEK Q02763 1/20 0.46
ULK1 O75385 2/20 0.45
PRKAA2 P54646 1/20 0.45
PRKAA1 Q13131 1/20 0.45
ULK2 Q8IYT8 1/20 0.45
EGFR P00533 3/20 0.41
BRD4 O60885 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
SCHEMBL4503811 0.96 LCK (0.59) LCKJAK3BTKTNK2TBK1
SCHEMBL4506463 0.96 LCK (0.52) LCKJAK3BTKTNK2TBK1
SCHEMBL4495966 0.93 LCK (0.59) LCKJAK3BTKTNK2TBK1
SCHEMBL4499811 0.92 LCK (0.49) LCKJAK3BTKTNK2TBK1
SCHEMBL4485430 0.92 LCK (0.54) LCKJAK3BTKTNK2TBK1
SCHEMBL4497970 0.91 LCK (0.46) LCKJAK3BTKTNK2TBK1
SCHEMBL4508592 0.90 LCK (0.56) LCKJAK3BTKTNK2KDR
SCHEMBL5686155 0.89 PTK2 (0.46) LCKJAK3BTKTNK2TBK1
SCHEMBL4504900 0.89 TBK1 (0.48) LCKJAK3BTKTNK2TBK1
SCHEMBL4489145 0.88 LCK (0.61) LCKJAK3BTKTNK2KDR

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