SCHEMBL31017633

SCHEMBL31017633

CC(C)(C)OC(=O)n1c2cccnc2c2cncnc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 1/20 0.42
▸ POLB P06746 1/20 0.37
▸ GABRG2 P18507 2/20 0.37
▸ GABRB3 P28472 2/20 0.37
▸ GABRA5 P31644 2/20 0.37
▸ NR1H2 P55055 6/20 0.36
▸ GPR119 Q8TDV5 4/20 0.35
▸ GABRA1 P14867 1/20 0.35
▸ GABRA2 P47869 1/20 0.35
▸ GABRA6 Q16445 1/20 0.35
▸ KIT P10721 1/20 0.35
▸ DTYMK P23919 1/20 0.35
▸ PIM1 P11309 1/20 0.35
▸ MARK3 P27448 1/20 0.35
▸ MAP4K2 Q12851 1/20 0.35
▸ CAMK2B Q13554 1/20 0.35
▸ PIM3 Q86V86 1/20 0.35
▸ PIM2 Q9P1W9 1/20 0.35
▸ CHRM2 P08172 1/20 0.34
▸ CHRM4 P08173 1/20 0.34

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
SCHEMBL31017644 0.84 CHRM2 (0.46) BRD4POLBGABRG2GABRB3GABRA5
SCHEMBL19806740 0.78 DDB1 (0.42) BRD4POLBGABRG2GABRB3GABRA5
SCHEMBL2628356 0.72 MAPK14 (0.42) —
SCHEMBL21071667 0.71 POLB (0.37) BRD4POLBGABRG2GABRB3GABRA5
SCHEMBL20581055 0.71 TLR9 (0.39) GABRG2GABRB3GABRA5GPR119GABRA1
SCHEMBL6643926 0.71 MAPK14 (0.60) NR1H2
SCHEMBL31122432 0.70 NR1H2 (0.36) POLBNR1H2GPR119NR1H3
SCHEMBL29773883 0.69 CHRM2 (0.49) POLBGABRG2GABRB3GABRA5NR1H2
SCHEMBL20580961 0.69 TLR9 (0.47) —
SCHEMBL20915455 0.69 KDM4E (0.40) POLBGABRG2GABRB3GABRA5NR1H2

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-118414336-A Degradation of Bruton Tyrosine Kinase (BTK) by conjugation of BTK inhibitors to E3 ligase ligands and methods of use 百济神州有限公司 2024-07-30 — — CN disclosed
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