SCHEMBL29763108

SCHEMBL29763108

CC(C)(C)OC(=O)N1CCN(C2CCC(n3nc(-c4ccc(Oc5ccccc5)cc4)c4c(N)ncnc43)CC2)CC1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 19/20 0.73
▸ LCK P06239 7/20 0.73
▸ SRC P12931 4/20 0.73
▸ TEK Q02763 2/20 0.73
▸ KDR P35968 2/20 0.73
▸ EGFR P00533 7/20 0.67
▸ NUDT14 O95848 2/20 0.65
▸ NUDT5 Q9UKK9 2/20 0.65
▸ LYN P07948 4/20 0.64
▸ ITK Q08881 5/20 0.61
▸ TEC P42680 4/20 0.61
▸ BMX P51813 4/20 0.61
▸ TXK P42681 2/20 0.61
▸ FGFR2 P21802 2/20 0.61
▸ ABL1 P00519 2/20 0.61
▸ ERBB2 P04626 2/20 0.61
▸ FYN P06241 2/20 0.61
▸ YES1 P07947 2/20 0.61
▸ HCK P08631 2/20 0.61
▸ FGR P09769 2/20 0.61

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
SCHEMBL5801409 1.00 BTK (0.73) BTKLCKSRCTEKKDR
SCHEMBL6434918 1.00 BTK (0.73) BTKLCKSRCTEKKDR
SCHEMBL6433918 1.00 BTK (0.73) BTKLCKSRCTEKKDR
SCHEMBL30301968 0.95 BTK (0.71) BTKLCKSRCTEKKDR
SCHEMBL26103890 0.95 BTK (0.71) BTKLCKSRCTEKKDR
SCHEMBL5801559 0.95 BTK (0.69) BTKLCKSRCTEKKDR
SCHEMBL22720698 0.95 BTK (0.69) BTKLCKSRCTEKKDR
SCHEMBL22720690 0.95 BTK (0.69) BTKLCKSRCTEKKDR
SCHEMBL22720717 0.95 BTK (0.69) BTKLCKSRCTEKKDR
SCHEMBL29470248 0.95 BTK (0.69) BTKLCKSRCTEKKDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114746095-B HCK as therapeutic target of MYD88 mutant diseases 达纳-法伯癌症研究所有限公司 2025-01-24 — — CN disclosed
CN-118201929-A PROTAC compound, pharmaceutical composition containing same, and preparation method and application thereof 广东弘烨医药科技有限公司 2024-06-14 — — CN disclosed
WO-2023072270-A1 PROTAC COMPOUND, PHARMACEUTICAL COMPOSITION COMPRISING SAME, PREPARATION METHOD THEREFOR, AND USE THEREOF 百极弘烨(南通)医药科技有限公司 2023-05-04 — — WO disclosed
CN-114746095-A HCK as therapeutic target of MYD88 mutant disease 达纳-法伯癌症研究所有限公司 2022-07-12 — — CN disclosed
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