SCHEMBL3971664

SCHEMBL3971664

Cc1cccc2cc(-c3ccnc(NCCCN4CCN(C)CC4)n3)sc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 6/20 0.47
MKNK1 Q9BUB5 3/20 0.46
FGFR1 P11362 5/20 0.42
HRH4 Q9H3N8 2/20 0.42
EGFR P00533 4/20 0.41
FGFR2 P21802 1/20 0.41
FGFR4 P22455 1/20 0.41
FGFR3 P22607 1/20 0.41
CDK4 P11802 1/20 0.41
GSK3B P49841 1/20 0.41
IKBKB O14920 1/20 0.39
CHUK O15111 1/20 0.39
IKBKG Q9Y6K9 1/20 0.39
AIMP2 Q13155 1/20 0.38
ADRA2B P18089 1/20 0.38
ADRA2C P18825 1/20 0.38
SLC6A2 P23975 1/20 0.38
HRH2 P25021 1/20 0.38
HTR1D P28221 1/20 0.38
HTR2A P28223 1/20 0.38

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
SCHEMBL3961990 0.90 FGFR1 (0.49) SRCMKNK1FGFR1EGFRFGFR2
SCHEMBL3958666 0.90 MKNK1 (0.47) SRCMKNK1FGFR1HRH4EGFR
SCHEMBL3970234 0.87 MKNK1 (0.43) SRCMKNK1FGFR1HRH4EGFR
SCHEMBL3969427 0.85 IKBKB (0.53) SRCMKNK1FGFR1HRH4EGFR
Hydrochloric Acid SCHEMBL3961561 0.84 IKBKB (0.52) SRCMKNK1FGFR1HRH4EGFR
SCHEMBL3963258 0.80 MKNK1 (0.46) SRCMKNK1FGFR1HRH4EGFR
SCHEMBL4075976 0.78 MKNK1 (0.45) SRCMKNK1FGFR1HRH4EGFR
SCHEMBL3970200 0.77 FGFR1 (0.44) SRCFGFR1EGFRFGFR2FGFR4
SCHEMBL3964652 0.77 FGFR1 (0.45) SRCFGFR1EGFRFGFR2FGFR4
SCHEMBL3962260 0.76 IKBKB (0.50) MKNK1CDK4GSK3BIKBKBCHUK

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