SCHEMBL3964652

SCHEMBL3964652

COc1cccc2cc(-c3nc(NCCCN4CCN(C)CC4)ncc3C)sc12

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 10/20 0.45
SRC P12931 5/20 0.43
EGFR P00533 4/20 0.43
FGFR2 P21802 2/20 0.43
FGFR4 P22455 2/20 0.43
FGFR3 P22607 2/20 0.43
MAPK8 P45983 1/20 0.43
LCK P06239 1/20 0.42
TLR9 Q9NR96 1/20 0.42
TLR7 Q9NYK1 1/20 0.42
HTR1A P08908 3/20 0.41
DRD2 P14416 3/20 0.41
HTR2A P28223 3/20 0.41
HTR7 P34969 3/20 0.41
HTR6 P50406 3/20 0.41
PGK1 P00558 1/20 0.40

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
SCHEMBL3964419 0.90 FGFR1 (0.50) FGFR1SRCEGFRFGFR2FGFR4
Hydrochloric Acid SCHEMBL3964159 0.89 FGFR1 (0.44) FGFR1SRCEGFRFGFR2FGFR4
SCHEMBL3970200 0.89 FGFR1 (0.44) FGFR1SRCEGFRFGFR2FGFR4
SCHEMBL3963837 0.85 FGFR1 (0.44) FGFR1SRCEGFRFGFR2FGFR4
SCHEMBL3958666 0.83 MKNK1 (0.47) FGFR1SRCEGFRFGFR2FGFR4
SCHEMBL3961731 0.79 FGFR1 (0.51) FGFR1SRCEGFRFGFR2FGFR4
SCHEMBL3965934 0.79 FGFR1 (0.43) FGFR1SRCEGFRFGFR2FGFR4
SCHEMBL3970084 0.79 FGFR1 (0.45) FGFR1SRCEGFRFGFR2FGFR4
SCHEMBL3967173 0.79 ICAM1 (0.46) FGFR1SRCEGFRFGFR2FGFR4
SCHEMBL3965330 0.79 SLC2A1 (0.43) FGFR1SRCEGFRFGFR2FGFR4

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1989200-B1 [4-(BENZO[B]THIOPHEN-2-YL)-PYRIMIDIN-2-YL]-AMINE DERIVATIVES AS IKK-BETA INHIBITORS FOR THE TREATMENT OF CANCER AND INFLAMMATORY DISEASES LILLY CO ELI (US) 2009-07-29 EP disclosed