SCHEMBL29697254

SCHEMBL29697254

c1ccc(-c2nc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)nc3c2sc2ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc23)cc1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LIMK1 P53667 2/20 0.39
ATM Q13315 2/20 0.38
KDM4E B2RXH2 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PIM1 P11309 8/20 0.37
PIM2 Q9P1W9 8/20 0.37
PIM3 Q86V86 3/20 0.37
PTGER4 P35408 1/20 0.35
NPY5R Q15761 1/20 0.35
KMT2A Q03164 2/20 0.31
MEN1 O00255 1/20 0.31
TSPO P30536 1/20 0.30
IL1R1 P14778 1/20 0.30

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
SCHEMBL20030053 1.00 LIMK1 (0.39) LIMK1ATMKDM4EL3MBTL1PIM1
SCHEMBL23380783 0.98 LIMK1 (0.38) LIMK1ATMKDM4EL3MBTL1PIM1
SCHEMBL20029897 0.98 LIMK1 (0.39) LIMK1ATMKDM4EL3MBTL1PIM1
SCHEMBL20029855 0.98 LIMK1 (0.39) LIMK1ATMKDM4EL3MBTL1PIM1
SCHEMBL23380777 0.97 LIMK1 (0.37) LIMK1ATMKDM4EL3MBTL1PIM1
SCHEMBL22006598 0.97 LIMK1 (0.41) LIMK1ATMKDM4EL3MBTL1PIM1
SCHEMBL22006907 0.96 LIMK1 (0.38) LIMK1ATMKDM4EL3MBTL1PIM1
SCHEMBL22006505 0.95 LIMK1 (0.39) LIMK1ATMKDM4EL3MBTL1PIM1
SCHEMBL20024188 0.95 LIMK1 (0.37) LIMK1ATMKDM4EL3MBTL1PIM1
SCHEMBL22006257 0.95 LIMK1 (0.41) LIMK1ATMKDM4EL3MBTL1PIM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115232137-A Compound having diaza dibenzofuran or diaza dibenzothiophene structure 默克专利有限公司 2022-10-25 CN disclosed
CN-115160329-A Compounds having a structure of diaza-dibenzofuran or diaza-dibenzothiophene 默克专利有限公司 2022-10-11 CN disclosed
CN-115160328-A Compounds having a structure of diaza-dibenzofuran or diaza-dibenzothiophene 默克专利有限公司 2022-10-11 CN disclosed
CN-109689658-B Compounds having a structure of diaza-dibenzofuran or diaza-dibenzothiophene 默克专利有限公司 2022-07-26 CN disclosed