SCHEMBL3965524

SCHEMBL3965524

CCN1CCN(CCCNc2ncc(Br)c(-c3cc4ccccc4s3)n2)CC1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 3/20 0.42
FGFR1 P11362 4/20 0.38
EGFR P00533 2/20 0.37
SRC P12931 1/20 0.37
FGFR2 P21802 1/20 0.37
FGFR4 P22455 1/20 0.37
FGFR3 P22607 1/20 0.37
TLR9 Q9NR96 1/20 0.37
TLR7 Q9NYK1 1/20 0.37
MERTK Q12866 1/20 0.36
DRD2 P14416 2/20 0.36
HTR2A P28223 1/20 0.36
HTR7 P34969 1/20 0.36
HTR6 P50406 1/20 0.36
SLC6A4 P31645 2/20 0.35
SLC6A2 P23975 1/20 0.35
IKBKB O14920 1/20 0.35
CHUK O15111 1/20 0.35
IKBKG Q9Y6K9 1/20 0.35

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
SCHEMBL3964127 0.93 FGFR1 (0.44) FGFR1EGFRSRCFGFR2FGFR4
SCHEMBL3967096 0.91 DRD2 (0.38) FGFR1EGFRSRCFGFR2FGFR4
SCHEMBL3971053 0.90 SLC2A1 (0.43) SLC2A1FGFR1EGFRSRCFGFR2
Hydrochloric Acid SCHEMBL3964469 0.88 MERTK (0.36) FGFR1EGFRMERTKDRD2HTR2A
Hydrochloric Acid SCHEMBL3965201 0.87 SLC2A1 (0.38) SLC2A1FGFR1EGFRSRCFGFR2
SCHEMBL3965330 0.84 SLC2A1 (0.43) SLC2A1FGFR1EGFRSRCFGFR2
Hydrochloric Acid SCHEMBL3967678 0.84 TACR2 (0.38) MERTKDRD2HTR2AHTR7HTR6
SCHEMBL3963837 0.83 FGFR1 (0.44) FGFR1EGFRSRCFGFR2FGFR4
SCHEMBL3966578 0.82 FGFR1 (0.50) FGFR1EGFRSRCFGFR2FGFR4
Hydrochloric Acid SCHEMBL3970371 0.82 CA1 (0.40) EGFRMERTKDRD2SLC6A4SLC6A2

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