SCHEMBL5686089

SCHEMBL5686089

CCCc1ccc(Oc2nc(Nc3ccc(C4CCN(CCC)CC4)cc3)ncc2C(=O)Nc2c(C)cccc2C)c(OC)c1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BTK Q06187 2/20 0.51
LCK P06239 2/20 0.51
JAK3 P52333 1/20 0.51
TNK2 Q07912 1/20 0.51
ABCB1 P08183 6/20 0.44
EGFR P00533 1/20 0.41
ERBB2 P04626 1/20 0.41
CSF1R P07333 2/20 0.40
CYP3A4 P08684 4/20 0.40
JAK2 O60674 2/20 0.40
PTK2 Q05397 2/20 0.40
STAT6 P42226 1/20 0.39
TTK P33981 1/20 0.39
CCR5 P51681 1/20 0.39
SIK1 P57059 1/20 0.39
SIK2 Q9H0K1 1/20 0.39
SIK3 Q9Y2K2 1/20 0.39
LRRK2 Q5S007 1/20 0.38

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
SCHEMBL4507879 0.95 BTK (0.52) BTKLCKJAK3TNK2ABCB1
SCHEMBL4495581 0.93 JAK3 (0.47) BTKLCKJAK3TNK2ABCB1
SCHEMBL4489552 0.91 LCK (0.51) BTKLCKJAK3TNK2ABCB1
SCHEMBL5686436 0.89 LCK (0.61) BTKLCKJAK3TNK2ABCB1
SCHEMBL4488034 0.88 LCK (0.53) BTKLCKJAK3TNK2ABCB1
SCHEMBL5686166 0.87 JAK3 (0.52) BTKLCKJAK3TNK2EGFR
SCHEMBL5688971 0.87 BTK (0.67) BTKLCKJAK3TNK2CSF1R
SCHEMBL5689088 0.85 LCK (0.48) BTKLCKJAK3TNK2EGFR
SCHEMBL4492079 0.85 LCK (0.60) BTKLCKJAK3TNK2ABCB1
SCHEMBL4493453 0.85 LCK (0.63) BTKLCKJAK3TNK2

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 4 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
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