SCHEMBL31398952

SCHEMBL31398952

CC(C)(C)OC(=O)N1CCn2c(c(Br)c3c(Cl)ncnc32)C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.42
▸ NR1H2 P55055 1/20 0.40
▸ MKNK1 Q9BUB5 6/20 0.38
▸ MAPK8 P45983 1/20 0.38
▸ CNR1 P21554 1/20 0.37
▸ CNR2 P34972 1/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ ESR2 Q92731 1/20 0.37
▸ PIK3CD O00329 3/20 0.37
▸ CYBB P04839 1/20 0.36
▸ NOX5 Q96PH1 1/20 0.36
▸ NOX4 Q9NPH5 1/20 0.36
▸ NOX1 Q9Y5S8 1/20 0.36
▸ MAP4K4 O95819 1/20 0.36
▸ MAPT P10636 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ KCNH2 Q12809 1/20 0.35
▸ EGFR P00533 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
SCHEMBL31398986 0.87 MAP4K4 (0.44) NR1H2MKNK1PIK3CDMAP4K4EGFR
SCHEMBL31398880 0.87 POLB (0.42) POLBNR1H2MKNK1MAPK8CNR1
SCHEMBL31398918 0.81 UCHL1 (0.35) MEN1KMT2APIK3CDTSHR
SCHEMBL31398962 0.80 UCHL1 (0.33) PIK3CDTSHREGFRSRC
SCHEMBL31398985 0.79 SRC (0.43) PIK3CDEGFRSRC
SCHEMBL31398994 0.79 MAPK8 (0.32) MAPK8CNR1CNR2MAP4K4
SCHEMBL31398949 0.76 MAP4K4 (0.44) NR1H2PIK3CDMAP4K4EGFRSRC
SCHEMBL31398881 0.73 SRC (0.54) PIK3CDEGFRSRC
SCHEMBL31398872 0.73 SRC (0.54) PIK3CDEGFRSRC
SCHEMBL31432 0.71 CSNK1E (0.44) NR1H2MEN1KMT2AESR2

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-119176813-A Tricyclic heterocyclic compound with FGFR inhibition effect, pharmaceutical composition containing tricyclic heterocyclic compound and application of pharmaceutical composition 上海科恩泰生物医药科技有限公司 2024-12-24 — — CN disclosed
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