SCHEMBL5686161

SCHEMBL5686161

CCCNC(=O)CCc1ccc(Oc2nc(Nc3ccc(C(=O)N(C)CCN(CC)CC)cc3)ncc2C(=O)Nc2c(C)cccc2C)c(OC)c1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LCK P06239 1/20 0.43
JAK3 P52333 1/20 0.43
BTK Q06187 1/20 0.43
TNK2 Q07912 1/20 0.43
IGF1R P08069 7/20 0.43
PTK2 Q05397 1/20 0.38
HDAC1 Q13547 5/20 0.37
HDAC2 Q92769 5/20 0.37
GAA P10253 2/20 0.36
ATM Q13315 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL4495479 0.96 LCK (0.43) LCKJAK3BTKTNK2IGF1R
SCHEMBL4495907 0.92 LCK (0.47) LCKJAK3BTKTNK2GAA
SCHEMBL4496017 0.92 LCK (0.43) LCKJAK3BTKTNK2IGF1R
SCHEMBL4486856 0.91 LCK (0.46) LCKJAK3BTKTNK2IGF1R
SCHEMBL5686291 0.91 LCK (0.46) LCKJAK3BTKTNK2IGF1R
SCHEMBL4496223 0.90 LCK (0.42) LCKJAK3BTKTNK2IGF1R
SCHEMBL4484530 0.89 LCK (0.43) LCKJAK3BTKTNK2IGF1R
SCHEMBL5686301 0.88 LCK (0.44) LCKJAK3BTKTNK2IGF1R
SCHEMBL4488109 0.87 LCK (0.47) LCKJAK3BTKTNK2GAA
SCHEMBL4489037 0.87 LCK (0.43) LCKJAK3BTKTNK2IGF1R

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