SCHEMBL5686169

SCHEMBL5686169

CCCOc1ccccc1Oc1nc(Nc2ccc(OCCN3CCN(CCC)CC3)c(F)c2)ncc1C(=O)Nc1c(C)cccc1C

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LCK P06239 4/20 0.57
TNK2 Q07912 3/20 0.57
BTK Q06187 2/20 0.57
JAK3 P52333 1/20 0.57
KDR P35968 5/20 0.47
SRC P12931 2/20 0.47
SIK1 P57059 2/20 0.45
SIK2 Q9H0K1 2/20 0.45
SIK3 Q9Y2K2 2/20 0.45
MET P08581 7/20 0.44
SYK P43405 1/20 0.41
EGFR P00533 1/20 0.41
ITK Q08881 1/20 0.41
MAPK14 Q16539 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
SCHEMBL5686310 0.95 LCK (0.55) LCKTNK2BTKJAK3KDR
SCHEMBL4489811 0.93 LCK (0.56) LCKTNK2BTKJAK3KDR
SCHEMBL4490742 0.92 LCK (0.56) LCKTNK2BTKJAK3KDR
SCHEMBL4490829 0.92 TNK2 (0.63) LCKTNK2BTKJAK3KDR
SCHEMBL4497146 0.91 TNK2 (0.70) LCKTNK2BTKJAK3KDR
SCHEMBL4500857 0.91 TNK2 (0.62) LCKTNK2BTKJAK3KDR
SCHEMBL4495159 0.90 LCK (0.59) LCKTNK2BTKJAK3KDR
SCHEMBL4493822 0.90 LCK (0.60) LCKTNK2BTKJAK3KDR
SCHEMBL4499213 0.90 BTK (0.62) LCKTNK2BTKJAK3KDR
SCHEMBL5689088 0.89 LCK (0.48) LCKTNK2BTKJAK3KDR

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