SCHEMBL24623409

SCHEMBL24623409

C=CC(=O)Nc1cccc(Oc2nc(Nc3ccc(N4CCN(C)CC4)cc3)nc3c2COC3)c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 9/20 0.71
▸ JAK3 P52333 9/20 0.71
▸ CD69 Q07108 1/20 0.71
▸ EGFR P00533 13/20 0.71
▸ KCNH2 Q12809 2/20 0.71
▸ ABCB11 O95342 1/20 0.71
▸ ESR1 P03372 1/20 0.71
▸ CHRM2 P08172 1/20 0.71
▸ HTR1A P08908 1/20 0.71
▸ ADRA2A P08913 1/20 0.71
▸ ADORA3 P0DMS8 1/20 0.71
▸ CHRM1 P11229 1/20 0.71
▸ DRD1 P21728 1/20 0.71
▸ TBXA2R P21731 1/20 0.71
▸ SLC6A2 P23975 1/20 0.71
▸ PDE4A P27815 1/20 0.71
▸ ADRA1A P35348 1/20 0.71
▸ OPRM1 P35372 1/20 0.71
▸ DRD3 P35462 1/20 0.71
▸ KDR P35968 1/20 0.71

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 1.00 BTK (0.71) BTKJAK3CD69EGFRKCNH2
SCHEMBL29809985 0.93 BTK (0.69) BTKJAK3CD69EGFRKCNH2
SCHEMBL29809896 0.92 BTK (0.63) BTKJAK3CD69EGFRKCNH2
SCHEMBL29809873 0.92 EGFR (0.63) BTKJAK3CD69EGFRKCNH2
SCHEMBL29809932 0.92 BTK (0.60) BTKJAK3CD69EGFRKCNH2
SCHEMBL29809868 0.91 CTSC (0.65) BTKJAK3CD69EGFRKCNH2
SCHEMBL29809872 0.90 CTSC (0.61) BTKJAK3CD69EGFRKCNH2
SCHEMBL29809870 0.90 EGFR (0.73) BTKJAK3EGFRJAK2BLK
SCHEMBL29809883 0.89 EGFR (0.72) BTKJAK3CD69EGFRKCNH2
SCHEMBL29809871 0.88 EGFR (0.57) BTKJAK3CD69EGFRKCNH2

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