SCHEMBL5686226

SCHEMBL5686226

CCCOc1ccccc1Oc1nc(Nc2ccc(N3CCN(C)C(C)C3)c(F)c2)ncc1C(=O)Nc1c(C)cccc1C

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BTK Q06187 2/20 0.56
JAK3 P52333 2/20 0.56
LCK P06239 1/20 0.56
TNK2 Q07912 1/20 0.56
SIK1 P57059 2/20 0.53
SIK2 Q9H0K1 2/20 0.53
SIK3 Q9Y2K2 2/20 0.53
EGFR P00533 4/20 0.43
CSF1R P07333 3/20 0.43
FLT3 P36888 1/20 0.42
BRD4 O60885 3/20 0.41
JAK1 P23458 3/20 0.41
SRC P12931 3/20 0.41
PAK1 Q13153 4/20 0.39
AXL P30530 1/20 0.39
BRDT Q58F21 1/20 0.39
SYK P43405 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
SCHEMBL4497460 0.95 BTK (0.62) BTKJAK3LCKTNK2SIK1
SCHEMBL4491720 0.92 SIK1 (0.56) BTKJAK3LCKTNK2SIK1
SCHEMBL4491335 0.91 SIK1 (0.62) BTKJAK3LCKTNK2SIK1
SCHEMBL4493690 0.90 SIK1 (0.54) BTKJAK3LCKTNK2SIK1
SCHEMBL4500667 0.88 SIK1 (0.51) BTKJAK3LCKTNK2SIK1
SCHEMBL4505694 0.88 BTK (0.62) BTKJAK3LCKTNK2SIK1
SCHEMBL5686428 0.86 SIK1 (0.49) BTKJAK3LCKTNK2SIK1
SCHEMBL4490125 0.86 JAK3 (0.66) BTKJAK3LCKTNK2SIK1
SCHEMBL4498458 0.85 SIK1 (0.49) BTKJAK3LCKTNK2SIK1
SCHEMBL4499910 0.85 JAK3 (0.51) BTKJAK3LCKTNK2SIK1

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