SCHEMBL24312340

SCHEMBL24312340

NCCNC(=O)c1ccc(-c2cc(-c3c[nH]nc3-c3ccccn3)ccn2)cc1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 7/20 0.56
LOXL2 Q9Y4K0 1/20 0.47
MAPK14 Q16539 1/20 0.44
MAPKAPK2 P49137 2/20 0.43
KDM4E B2RXH2 1/20 0.43
HPGDS O60760 1/20 0.43
KMT2A Q03164 2/20 0.41
MAPK8 P45983 1/20 0.41
SPHK2 Q9NRA0 1/20 0.40
TDO2 P48775 1/20 0.40
MEN1 O00255 1/20 0.39
IKBKB O14920 1/20 0.39
CHUK O15111 1/20 0.39
IKBKG Q9Y6K9 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
SCHEMBL6178605 0.90 TGFBR1 (0.70) TGFBR1LOXL2MAPK14MAPKAPK2HPGDS
SCHEMBL6180820 0.83 TGFBR1 (0.48) TGFBR1MAPK14KMT2AMEN1
SCHEMBL374931 0.82 TGFBR1 (0.62) TGFBR1LOXL2MAPK14MAPKAPK2KDM4E
SCHEMBL29831833 0.82 TGFBR1 (0.62) TGFBR1LOXL2MAPK14MAPKAPK2KDM4E
SCHEMBL373292 0.82 TGFBR1 (0.66) TGFBR1MAPK14KDM4E
SCHEMBL6179158 0.81 TGFBR1 (0.53) TGFBR1MAPK14HPGDS
SCHEMBL12444984 0.81 TGFBR1 (0.57) TGFBR1MAPK14MAPKAPK2KDM4E
SCHEMBL373524 0.80 TGFBR1 (0.70) TGFBR1MAPK14MAPKAPK2
SCHEMBL29358505 0.80 TGFBR1 (0.70) TGFBR1MAPK14MAPKAPK2
Water SCHEMBL21633982 0.79 TGFBR1 (0.69) TGFBR1MAPK14MAPKAPK2

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
WO-2022076905-A1 ALK5 INHIBITORS, CONJUGATES, AND USES THEREOF SILVERBACK THERAPEUTICS, INC. (US) 2022-04-14 WO disclosed