SCHEMBL5686308

SCHEMBL5686308

CCCN1CCN(c2ccc(Nc3ncc(C(=O)Nc4c(C)cccc4C)c(Oc4cccc(-c5cc[nH]n5)c4)n3)cc2)CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 4/20 0.57
LCK P06239 3/20 0.57
BTK Q06187 2/20 0.57
TNK2 Q07912 1/20 0.57
SRC P12931 7/20 0.45
EGFR P00533 3/20 0.44
JAK2 O60674 2/20 0.44
BLK P51451 1/20 0.44
BMX P51813 1/20 0.44
HCK P08631 1/20 0.42
FGFR1 P11362 1/20 0.42
CSF1R P07333 3/20 0.42
KDR P35968 1/20 0.41
TEK Q02763 1/20 0.41
MAPK14 Q16539 1/20 0.41
JAK1 P23458 1/20 0.41
KCNH2 Q12809 1/20 0.41
DAPK1 P53355 1/20 0.41
PTK2 Q05397 1/20 0.41
NUAK1 O60285 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
SCHEMBL4499858 0.93 JAK3 (0.54) JAK3LCKBTKTNK2SRC
SCHEMBL4496379 0.93 LCK (0.57) JAK3LCKBTKTNK2SRC
SCHEMBL4488278 0.92 JAK3 (0.53) JAK3LCKBTKTNK2SRC
SCHEMBL4500498 0.89 JAK3 (0.55) JAK3LCKBTKTNK2SRC
SCHEMBL5686680 0.88 LCK (0.56) JAK3LCKBTKTNK2SRC
SCHEMBL5689409 0.88 LCK (0.61) JAK3LCKBTKTNK2SRC
SCHEMBL5686215 0.88 JAK3 (0.66) JAK3LCKBTKTNK2SRC
SCHEMBL5686375 0.87 JAK3 (0.60) JAK3LCKBTKTNK2SRC
SCHEMBL5686131 0.86 LCK (0.61) JAK3LCKBTKTNK2SRC
SCHEMBL5689367 0.86 JAK3 (0.65) JAK3LCKBTKTNK2SRC

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