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SCHEMBL22940451

SCHEMBL22940451

CC1CC(c2nn3c(c2C(N)=O)NCC[C@H]3C2CCN(C(=O)CCN(C)CC(=O)NCCOc3cccc4c3C(=O)N(C3CCC(=O)NC3=O)C4=O)CC2)=CC=C1Oc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 14/20 0.42
▸ CRBN Q96SW2 7/20 0.41
▸ DDB1 Q16531 2/20 0.38
▸ BRD4 O60885 1/20 0.38
▸ PTK2 Q05397 3/20 0.38
▸ EGFR P00533 1/20 0.37
▸ TEC P42680 1/20 0.37
▸ TXK P42681 1/20 0.37
▸ BMX P51813 1/20 0.37
▸ TRIM24 O15164 1/20 0.37

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
SCHEMBL22940495 0.91 BTK (0.53) BTKCRBNEGFRTECTXK
SCHEMBL29795830 0.91 BTK (0.53) BTKCRBNEGFRTECTXK
SCHEMBL22940456 0.83 BTK (0.55) BTKCRBNEGFRTECTXK
SCHEMBL29795774 0.83 BTK (0.55) BTKCRBNEGFRTECTXK
SCHEMBL22940494 0.82 BTK (0.55) BTKCRBNEGFRTECTXK
SCHEMBL29795759 0.82 BTK (0.55) BTKCRBNEGFRTECTXK
SCHEMBL22940191 0.79 BTK (0.55) BTKCRBNDDB1BRD4EGFR
SCHEMBL29795796 0.79 BTK (0.58) BTKEGFRTECTXKBMX
SCHEMBL22940323 0.79 BTK (0.58) BTKEGFRTECTXKBMX
SCHEMBL22940510 0.78 BTK (0.55) BTKCRBNDDB1BRD4EGFR

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-2021018018-A1 DEGRADATION OF BRUTON'S TYROSINE KINASE (BTK) BY CONJUGATION OF BTK INIDBITORS WITH E3 LIGASE LIGAND AND METHODS OF USE BEIGENE, LTD. (KY) 2021-02-04 — — WO disclosed