SCHEMBL29809985

SCHEMBL29809985

C=CC(=O)Nc1cccc(Oc2nc(Nc3ccc(N4CCOCC4)cc3)nc3c2COC3)c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 9/20 0.69
▸ JAK3 P52333 9/20 0.69
▸ EGFR P00533 12/20 0.64
▸ BLK P51451 2/20 0.64
▸ ITK Q08881 1/20 0.64
▸ JAK2 O60674 3/20 0.61
▸ BMX P51813 1/20 0.61
▸ CD69 Q07108 1/20 0.61
▸ KCNH2 Q12809 2/20 0.60
▸ ABCB11 O95342 1/20 0.60
▸ ESR1 P03372 1/20 0.60
▸ CHRM2 P08172 1/20 0.60
▸ HTR1A P08908 1/20 0.60
▸ ADRA2A P08913 1/20 0.60
▸ ADORA3 P0DMS8 1/20 0.60
▸ CHRM1 P11229 1/20 0.60
▸ DRD1 P21728 1/20 0.60
▸ TBXA2R P21731 1/20 0.60
▸ SLC6A2 P23975 1/20 0.60
▸ PDE4A P27815 1/20 0.60

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
SCHEMBL29809929 0.93 BTK (0.71) BTKJAK3EGFRBLKITK
SCHEMBL24623409 0.93 BTK (0.71) BTKJAK3EGFRBLKITK
SCHEMBL29809868 0.93 CTSC (0.65) BTKJAK3EGFRBLKITK
SCHEMBL29809896 0.92 BTK (0.63) BTKJAK3EGFRBLKITK
SCHEMBL29809873 0.91 EGFR (0.63) BTKJAK3EGFRBLKITK
SCHEMBL29809932 0.91 BTK (0.60) BTKJAK3EGFRBLKITK
SCHEMBL20443800 0.86 JAK3 (0.67) BTKJAK3EGFRBLKITK
SCHEMBL29809957 0.84 EGFR (0.69) BTKJAK3EGFRBLKITK
SCHEMBL29810120 0.84 EGFR (0.62) BTKJAK3EGFRBLKITK
SCHEMBL14914722 0.83 JAK3 (0.85) BTKJAK3EGFRBLKITK

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022149856-A1 COMPOUND FOR INHIBITING BRUTON'S TYROSINE KINASE, AND PHARMACEUTICAL USE THEREOF 주식회사 온코빅스 2022-07-14 — — WO claimed
WO-2022149856-A1 COMPOUND FOR INHIBITING BRUTON'S TYROSINE KINASE, AND PHARMACEUTICAL USE THEREOF 주식회사 온코빅스 2022-07-14 — — WO disclosed
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