SCHEMBL30855656

SCHEMBL30855656

[2H]C([2H])([2H])n1ccc2cc(-c3c(-c4cccc(C)n4)nc4ncccn34)ccc21

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 12/20 0.46
ROCK2 O75116 1/20 0.39
PIM1 P11309 1/20 0.39
GSK3B P49841 1/20 0.39
MAP3K20 Q9NYL2 1/20 0.38
KLK7 P49862 1/20 0.36
GAA P10253 2/20 0.36
GRK5 P34947 1/20 0.36
MAPK14 Q16539 1/20 0.36
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GLA P06280 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 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
SCHEMBL30855657 0.93 TGFBR1 (0.51) TGFBR1ROCK2PIM1GSK3BMAP3K20
SCHEMBL30182752 0.84 TGFBR1 (0.45) TGFBR1ROCK2PIM1GSK3BKLK7
SCHEMBL30855629 0.81 TGFBR1 (0.45) TGFBR1ROCK2PIM1GSK3BMAPK14
SCHEMBL4860181 0.80 TGFBR1 (0.60) TGFBR1ROCK2PIM1GSK3BMAPK14
SCHEMBL4865043 0.79 TGFBR1 (0.59) TGFBR1MAPK14
SCHEMBL30855685 0.78 TGFBR1 (0.46) TGFBR1ROCK2PIM1GSK3BKLK7
SCHEMBL4860838 0.78 TGFBR1 (0.48) TGFBR1ROCK2PIM1GSK3BMAP3K20
SCHEMBL30855647 0.78 TGFBR1 (0.47) TGFBR1ROCK2PIM1GSK3BKLK7
SCHEMBL29281264 0.78 CYP1A2 (0.47) TGFBR1ROCK2PIM1GSK3BKLK7
SCHEMBL4863221 0.77 BACE1 (0.43) TGFBR1ROCK2PIM1GSK3BGAA

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
CN-117881669-A Condensed ring heteroaryl compounds and uses thereof 比西切姆有限公司 2024-04-12 CN disclosed