SCHEMBL30144656

SCHEMBL30144656

Nc1ncnc2c1c(-c1ccc(Oc3ccccc3)cc1)nn2C1CCN(C2CCN(CC3CCNCC3)C2)CC1

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 20/20 0.64
▸ NUDT14 O95848 1/20 0.64
▸ NUDT5 Q9UKK9 1/20 0.64
▸ LCK P06239 4/20 0.63
▸ LYN P07948 1/20 0.63
▸ SRC P12931 1/20 0.62
▸ KDR P35968 1/20 0.62
▸ TEK Q02763 1/20 0.62
▸ EGFR P00533 4/20 0.57
▸ ITK Q08881 2/20 0.54
▸ TEC P42680 1/20 0.52
▸ TXK P42681 1/20 0.52
▸ BMX P51813 1/20 0.52

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
SCHEMBL26098532 1.00 BTK (0.64) BTKNUDT14NUDT5LCKLYN
SCHEMBL24196915 0.96 BTK (0.65) BTKNUDT14NUDT5LCKLYN
SCHEMBL24196555 0.95 BTK (0.67) BTKNUDT14NUDT5LCKLYN
SCHEMBL22720709 0.94 BTK (0.70) BTKNUDT14NUDT5LCKLYN
SCHEMBL25075259 0.93 BTK (0.65) BTKNUDT14NUDT5LCKLYN
SCHEMBL22720825 0.93 BTK (0.66) BTKNUDT14NUDT5LCKLYN
SCHEMBL30144775 0.93 BTK (0.65) BTKNUDT14NUDT5LCKLYN
SCHEMBL25075181 0.93 BTK (0.65) BTKNUDT14NUDT5LCKLYN
SCHEMBL25075054 0.93 BTK (0.69) BTKNUDT14NUDT5LCKLYN
SCHEMBL25075465 0.92 BTK (0.66) BTKNUDT14NUDT5LCKLYN

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-2023023537-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF BRUTON'S TYROSINE KINASE ENDOTARGET INC. (US) 2023-02-23 — — WO disclosed
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