SCHEMBL30855657

SCHEMBL30855657

Cc1cccc(-c2nc3ncccn3c2-c2ccc3c(ccn3C)c2)n1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 11/20 0.51
MAP3K20 Q9NYL2 1/20 0.42
ROCK2 O75116 1/20 0.41
PIM1 P11309 1/20 0.41
GSK3B P49841 1/20 0.41
GRK5 P34947 1/20 0.41
HSD11B1 P28845 1/20 0.40
KLK7 P49862 1/20 0.38
ABL1 P00519 1/20 0.38
SRC P12931 1/20 0.38
GAA P10253 2/20 0.37
MAPK14 Q16539 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GLA P06280 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL30855656 0.93 TGFBR1 (0.46) TGFBR1MAP3K20ROCK2PIM1GSK3B
SCHEMBL30855629 0.85 TGFBR1 (0.45) TGFBR1ROCK2PIM1GSK3BMAPK14
SCHEMBL4860838 0.83 TGFBR1 (0.48) TGFBR1MAP3K20ROCK2PIM1GSK3B
SCHEMBL4860181 0.83 TGFBR1 (0.60) TGFBR1ROCK2PIM1GSK3BMAPK14
SCHEMBL4865043 0.81 TGFBR1 (0.59) TGFBR1MAPK14
SCHEMBL4860883 0.81 TGFBR1 (0.43) TGFBR1MAP3K20ROCK2PIM1GSK3B
SCHEMBL30855685 0.81 TGFBR1 (0.46) TGFBR1ROCK2PIM1GSK3BKLK7
SCHEMBL30182752 0.81 TGFBR1 (0.45) TGFBR1ROCK2PIM1GSK3BKLK7
SCHEMBL4866801 0.81 TGFBR1 (0.42) TGFBR1MAP3K20ROCK2PIM1GSK3B
SCHEMBL30855647 0.80 TGFBR1 (0.47) TGFBR1ROCK2PIM1GSK3BKLK7

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