SCHEMBL25830945

SCHEMBL25830945

CC(C)(C)OC(=O)N1CC=C(c2ccc3c(c2)[nH]c2nc[nH]c(=O)c23)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 1/20 0.48
▸ NAMPT P43490 1/20 0.47
▸ JAK1 P23458 1/20 0.46
▸ GABRP O00591 1/20 0.45
▸ GABRD O14764 1/20 0.45
▸ GABRA1 P14867 1/20 0.45
▸ GABRB1 P18505 1/20 0.45
▸ GABRG2 P18507 1/20 0.45
▸ GABRB3 P28472 1/20 0.45
▸ GABRA5 P31644 1/20 0.45
▸ GABRA3 P34903 1/20 0.45
▸ GABRA2 P47869 1/20 0.45
▸ GABRB2 P47870 1/20 0.45
▸ GABRA4 P48169 1/20 0.45
▸ GABRE P78334 1/20 0.45
▸ GABRA6 Q16445 1/20 0.45
▸ GABRG1 Q8N1C3 1/20 0.45
▸ GABRG3 Q99928 1/20 0.45
▸ GABRQ Q9UN88 1/20 0.45
▸ CDK9 P50750 4/20 0.45

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
SCHEMBL30484036 1.00 BRD4 (0.48) BRD4NAMPTJAK1GABRPGABRD
SCHEMBL31017627 0.93 CNR1 (0.48) BRD4NAMPTJAK1GABRPGABRD
SCHEMBL30484043 0.93 CNR1 (0.48) BRD4NAMPTJAK1GABRPGABRD
SCHEMBL25831065 0.91 TBK1 (0.41) BRD4NAMPTJAK1GABRPGABRD
SCHEMBL30484064 0.91 TBK1 (0.41) BRD4NAMPTJAK1GABRPGABRD
SCHEMBL30484040 0.86 NAMPT (0.47) BRD4NAMPTJAK1GABRPGABRD
SCHEMBL25831672 0.86 CYP11B2 (0.47) BRD4NAMPTJAK1GABRPGABRD
SCHEMBL31110439 0.79 GABRP (0.50) BRD4NAMPTJAK1GABRPGABRD
SCHEMBL25296850 0.78 LIMK1 (0.39) —
SCHEMBL25294762 0.78 LIMK1 (0.33) KIT

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
WO-2023125907-A1 DEGRADATION OF BRUTON'S TYROSINE KINASE (BTK) BY CONJUGATION OF BTK INHIBITORS WITH E3 LIGASE LIGAND AND METHODS OF USE BEIGENE, LTD. (KY) 2023-07-06 — — WO disclosed
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