SCHEMBL31017644

SCHEMBL31017644

CC(C)(C)OC(=O)n1c2ccccc2c2cncnc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRM2 P08172 1/20 0.46
▸ CHRM4 P08173 1/20 0.46
▸ CHRM1 P11229 1/20 0.46
▸ CHRM3 P20309 1/20 0.46
▸ GABRG2 P18507 2/20 0.41
▸ GABRB3 P28472 2/20 0.41
▸ GABRA5 P31644 2/20 0.41
▸ DDB1 Q16531 1/20 0.41
▸ CRBN Q96SW2 1/20 0.41
▸ POLB P06746 1/20 0.40
▸ GABRA1 P14867 1/20 0.39
▸ GABRA2 P47869 1/20 0.39
▸ GABRA6 Q16445 1/20 0.39
▸ PIM1 P11309 1/20 0.39
▸ MARK3 P27448 1/20 0.39
▸ MAP4K2 Q12851 1/20 0.39
▸ CAMK2B Q13554 1/20 0.39
▸ PIM3 Q86V86 1/20 0.39
▸ PIM2 Q9P1W9 1/20 0.39
▸ NR1H2 P55055 6/20 0.38

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
SCHEMBL31017633 0.84 BRD4 (0.42) CHRM2CHRM4CHRM1CHRM3GABRG2
SCHEMBL30022454 0.80 CHRM2 (0.59) CHRM2CHRM4CHRM1CHRM3GABRG2
SCHEMBL13696680 0.80 CHRM2 (0.59) CHRM2CHRM4CHRM1CHRM3GABRG2
SCHEMBL29773883 0.80 CHRM2 (0.49) CHRM2CHRM4CHRM1CHRM3GABRG2
SCHEMBL19806740 0.79 DDB1 (0.42) CHRM2CHRM4CHRM1CHRM3GABRG2
SCHEMBL27905863 0.77 CHRM2 (0.49) CHRM2CHRM4CHRM1CHRM3GABRG2
SCHEMBL20581055 0.76 TLR9 (0.39) GABRG2GABRB3GABRA5GABRA1GABRA2
SCHEMBL20580961 0.76 TLR9 (0.47) KDM4EALDH1A1
SCHEMBL27962863 0.72 GABRG2 (0.61) CHRM2CHRM4CHRM1CHRM3GABRG2
SCHEMBL27905858 0.72 GBA1 (0.44) CHRM2CHRM4CHRM1CHRM3GABRG2

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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