SCHEMBL6645137

SCHEMBL6645137

CC(C)c1csc2ncnc(NC3Cc4ccccc4C3)c12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.44
RXFP1 Q9HBX9 2/20 0.44
LMNA P02545 1/20 0.44
NOD2 Q9HC29 1/20 0.44
IRAK4 Q9NWZ3 2/20 0.43
DYRK3 O43781 1/20 0.38
MAP4K4 O95819 1/20 0.38
EGFR P00533 1/20 0.38
PIM1 P11309 1/20 0.38
CLK2 P49760 1/20 0.38
IRAK1 P51617 1/20 0.38
CSNK2A1 P68400 1/20 0.38
MAP4K2 Q12851 1/20 0.38
DYRK1A Q13627 1/20 0.38
PIM3 Q86V86 1/20 0.38
HIPK4 Q8NE63 1/20 0.38
AURKB Q96GD4 1/20 0.38
SRPK1 Q96SB4 1/20 0.38
CLK4 Q9HAZ1 1/20 0.38
MKNK2 Q9HBH9 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
SCHEMBL1906554 0.84 RAB9A (0.60) RAB9ARXFP1LMNANOD2IRAK4
SCHEMBL12392411 0.82 DYRK3 (0.57) RAB9ARXFP1LMNANOD2IRAK4
SCHEMBL6642610 0.79 FGFR1 (0.55) LMNAMAP4K4CLK2CSNK2A1MAP4K2
SCHEMBL6642978 0.77 GBA1 (0.47) RAB9ARXFP1LMNANOD2IRAK4
SCHEMBL6641883 0.76 SMN1; SMN2 (0.55) RAB9ARXFP1LMNANOD2IRAK4
SCHEMBL6644571 0.75 LMNA (0.42) RAB9ARXFP1LMNANOD2IRAK4
SCHEMBL6645048 0.75 LMNA (0.45) RAB9ARXFP1LMNANOD2IRAK4
SCHEMBL6642717 0.73 SMN1; SMN2 (0.60) RAB9ARXFP1LMNAIRAK4MEN1
SCHEMBL6641156 0.71 PI4KA (0.39) HRH4
SCHEMBL6640537 0.71 IRAK4 (0.59) RAB9ALMNAIRAK4MEN1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1018514-B1 NF-$g(k)B INHIBITORS CONTAINING INDAN DERIVATIVES AS THE ACTIVE INGREDIENT DAIICHI SUNTORY PHARMA CO LTD (JP) 2004-05-12 EP claimed
US-6734180-B1 NF-κB inhibitor comprising an indan derivative as an active ingredient DAIICHI SUNTORY PHARMA CO., LTD. (JP) 2004-05-11 US claimed
EP-1018514-A1 NF-$g(k)B INHIBITORS CONTAINING INDAN DERIVATIVES AS THE ACTIVE INGREDIENT SUNTORY LIMITED (JP) 2000-07-12 EP claimed
EP-1018514-B1 NF-$g(k)B INHIBITORS CONTAINING INDAN DERIVATIVES AS THE ACTIVE INGREDIENT DAIICHI SUNTORY PHARMA CO LTD (JP) 2004-05-12 EP disclosed
US-6734180-B1 NF-κB inhibitor comprising an indan derivative as an active ingredient DAIICHI SUNTORY PHARMA CO., LTD. (JP) 2004-05-11 US disclosed
US-6703421-B1 ADMINISTERING NF-KAPPA B INHIBITOR DAIICHI SUNTORY PHARMA CO., LTD. (JP) 2004-03-09 US disclosed
EP-1132093-A1 PREVENTIVES OR REMEDIES FOR MYOCARDITIS, DILATED CARDIOMYOPATHY AND CARDIAC INSUFFICIENCY CONTAINING NF-KAPPA B INHIBITORS AS THE ACTIVE INGREDIENT SUNTORY LIMITED (JP) 2001-09-12 EP disclosed
EP-1018514-A1 NF-$g(k)B INHIBITORS CONTAINING INDAN DERIVATIVES AS THE ACTIVE INGREDIENT SUNTORY LIMITED (JP) 2000-07-12 EP disclosed