SCHEMBL5686166

SCHEMBL5686166

CCCc1ccc(Oc2nc(Nc3ccc(OCCCN4CCN(CCC)CC4)c(OC)c3)ncc2C(=O)Nc2c(C)cccc2C)c(OC)c1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 5/20 0.52
BTK Q06187 5/20 0.52
LCK P06239 5/20 0.52
TNK2 Q07912 2/20 0.52
KDR P35968 7/20 0.45
SRC P12931 4/20 0.45
MAPK14 Q16539 2/20 0.45
IGF1R P08069 1/20 0.41
MET P08581 1/20 0.40
MEN1 O00255 1/20 0.39
MAPK1 P28482 1/20 0.39
KMT2A Q03164 1/20 0.39
EHMT2 Q96KQ7 1/20 0.39
EHMT1 Q9H9B1 1/20 0.39
EGFR P00533 3/20 0.39
AURKA O14965 1/20 0.39

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
SCHEMBL4495909 0.94 LCK (0.49) JAK3BTKLCKTNK2KDR
SCHEMBL4483801 0.92 LCK (0.49) JAK3BTKLCKTNK2KDR
SCHEMBL4496208 0.92 LCK (0.47) JAK3BTKLCKTNK2KDR
SCHEMBL5689088 0.91 LCK (0.48) JAK3BTKLCKTNK2KDR
SCHEMBL4497970 0.91 LCK (0.46) JAK3BTKLCKTNK2KDR
SCHEMBL4508549 0.91 TNK2 (0.49) JAK3BTKLCKTNK2KDR
SCHEMBL4500908 0.90 TNK2 (0.50) JAK3BTKLCKTNK2KDR
SCHEMBL4506744 0.90 LCK (0.48) JAK3BTKLCKTNK2KDR
SCHEMBL5686436 0.90 LCK (0.61) JAK3BTKLCKTNK2KDR
SCHEMBL4508083 0.89 LCK (0.46) JAK3BTKLCKTNK2KDR

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