SCHEMBL7784464

SCHEMBL7784464

Fc1ccc(-c2c(-c3ccccn3)nc3n2CCC3)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 6/20 1.00
THRB P10828 1/20 0.54
TGFBR2 P37173 2/20 0.51
PDE10A Q9Y233 1/20 0.41
KDM4E B2RXH2 1/20 0.41
HTT P42858 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
CSNK1D P48730 4/20 0.41
CSNK1E P49674 4/20 0.41
MAPK13 O15264 1/20 0.40
MAPK12 P53778 1/20 0.40
MAPK11 Q15759 1/20 0.40
MAPK14 Q16539 1/20 0.40
TACR3 P29371 1/20 0.40
PRCP P42785 1/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL7786549 0.84 TGFBR1 (1.00) TGFBR1THRBPDE10AKDM4EHTT
SCHEMBL9436258 0.82 TGFBR1 (0.69) TGFBR1TGFBR2PDE10AKDM4ETDP1
SCHEMBL17767754 0.82 TGFBR1 (0.69) TGFBR1THRBTGFBR2MAPK14
SCHEMBL17767437 0.81 TGFBR1 (0.68) TGFBR1THRBTGFBR2MAPK14
SCHEMBL17767722 0.79 TGFBR1 (0.65) TGFBR1THRBTGFBR2MEN1ALDH1A1
SCHEMBL373378 0.79 TGFBR1 (1.00) TGFBR1TGFBR2KDM4EHTTTDP1
SCHEMBL7343693 0.79 TGFBR1 (0.65) TGFBR1TGFBR2PDE10AKDM4ETDP1
SCHEMBL7378515 0.79 TGFBR1 (0.65) TGFBR1TGFBR2PDE10AKDM4ETDP1
SCHEMBL17767770 0.78 TGFBR1 (0.63) TGFBR1TGFBR2PDE10AKDM4E
SCHEMBL7786197 0.77 TGFBR1 (1.00) TGFBR1THRBKDM4ETDP1MAPK13

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-1140129-A1 HUMAN MAD PROTEINS AND USES THEREOF SMITHKLINE BEECHAM CORPORATION (US) 2001-10-10 EP disclosed
WO-2000035470-A1 HUMAN MAD PROTEINS AND USES THEREOF SMITHKLINE BEECHAM CORPORATION (US) 2000-06-22 WO disclosed