SCHEMBL5686238

SCHEMBL5686238

COc1ccccc1ON(C(=O)c1cnc(Nc2ccc(OCC3CCCN(C)C3)c(F)c2)nc1)c1c(C)cccc1C

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PRKCQ Q04759 7/20 0.40
EGFR P00533 3/20 0.40
POLB P06746 1/20 0.39
SCN9A Q15858 2/20 0.39
LCK P06239 3/20 0.38
KDR P35968 3/20 0.38
MAPK14 Q16539 3/20 0.38
SRC P12931 2/20 0.38
PTK2 Q05397 1/20 0.37
ITK Q08881 1/20 0.37
KCNH2 Q12809 1/20 0.37
BTK Q06187 1/20 0.37
JAK2 O60674 1/20 0.37
JAK1 P23458 1/20 0.37
TYK2 P29597 1/20 0.37
JAK3 P52333 1/20 0.37
FGFR3 P22607 1/20 0.37

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
SCHEMBL5689620 0.90 PTK2 (0.41) PRKCQEGFRSCN9ALCKKDR
SCHEMBL5686735 0.84 LCK (0.53) LCKKDRMAPK14SRCBTK
SCHEMBL4557888 0.84 KDR (0.53) EGFRLCKKDRMAPK14SRC
SCHEMBL5687458 0.82 JAK2 (0.53) LCKKDRMAPK14SRCKCNH2
SCHEMBL5686229 0.82 JAK2 (0.43) EGFRLCKKDRMAPK14SRC
SCHEMBL5686280 0.82 SIK1 (0.46) PRKCQEGFRSCN9ALCKMAPK14
SCHEMBL5689524 0.81 KDR (0.43) EGFRLCKKDRMAPK14SRC
SCHEMBL4508451 0.81 EGFR (0.46) PRKCQEGFRSCN9AKDRKCNH2
SCHEMBL4497858 0.78 JAK3 (0.52) EGFRSCN9ALCKKDRMAPK14
SCHEMBL4560194 0.77 LCK (0.58) LCKKDRMAPK14SRCJAK2

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