SCHEMBL30301968

SCHEMBL30301968

CC(C)(C)OC(=O)N1CC(N2CCN(C3CCC(n4nc(-c5ccc(Oc6ccccc6)cc5)c5c(N)ncnc54)CC3)CC2)C1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 20/20 0.71
▸ LCK P06239 4/20 0.71
▸ SRC P12931 2/20 0.71
▸ KDR P35968 2/20 0.71
▸ TEK Q02763 1/20 0.71
▸ NUDT14 O95848 2/20 0.63
▸ NUDT5 Q9UKK9 2/20 0.63
▸ EGFR P00533 5/20 0.63
▸ ITK Q08881 3/20 0.62
▸ LYN P07948 3/20 0.62
▸ TEC P42680 3/20 0.61
▸ BMX P51813 3/20 0.61
▸ TXK P42681 2/20 0.61
▸ FGFR2 P21802 2/20 0.61
▸ RIPK2 O43353 1/20 0.61
▸ NR1I2 O75469 1/20 0.61
▸ SLC22A3 O75751 1/20 0.61
▸ LATS1 O95835 1/20 0.61
▸ ABL1 P00519 1/20 0.61
▸ ERBB2 P04626 1/20 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
SCHEMBL26103890 1.00 BTK (0.71) BTKLCKSRCKDRTEK
SCHEMBL28683839 0.98 BTK (0.69) BTKLCKSRCKDRTEK
SCHEMBL22720760 0.97 BTK (0.68) BTKLCKSRCKDRTEK
SCHEMBL29470262 0.97 BTK (0.68) BTKLCKSRCKDRTEK
SCHEMBL22721024 0.96 BTK (0.68) BTKLCKSRCKDRTEK
SCHEMBL29669966 0.96 BTK (0.68) BTKLCKSRCKDRTEK
SCHEMBL22720990 0.95 BTK (0.66) BTKLCKSRCKDRTEK
SCHEMBL6434918 0.95 BTK (0.73) BTKLCKSRCKDRTEK
SCHEMBL6433918 0.95 BTK (0.73) BTKLCKSRCKDRTEK
SCHEMBL5801409 0.95 BTK (0.73) BTKLCKSRCKDRTEK

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-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
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