SCHEMBL30416245

SCHEMBL30416245

CC(C)(C)OC(=O)N1CCC(N2CCC(n3nc(-c4ccc(Oc5ccccc5F)cc4)c4c(N)ncnc43)CC2)CC1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 19/20 0.57
▸ EGFR P00533 2/20 0.57
▸ LCK P06239 4/20 0.56
▸ SRC P12931 2/20 0.56
▸ TEK Q02763 2/20 0.56
▸ KDR P35968 1/20 0.56
▸ NUDT14 O95848 1/20 0.55
▸ NUDT5 Q9UKK9 1/20 0.55
▸ ITK Q08881 1/20 0.55
▸ KIT P10721 1/20 0.53
▸ FLT3 P36888 1/20 0.53
▸ LYN P07948 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
SCHEMBL24196614 1.00 BTK (0.57) BTKEGFRLCKSRCTEK
SCHEMBL24196860 0.97 BTK (0.60) BTKEGFRLCKNUDT14NUDT5
SCHEMBL24196616 0.96 BTK (0.58) BTKEGFRLCKSRCTEK
SCHEMBL30331087 0.95 BTK (0.58) BTKEGFRLCKSRCTEK
SCHEMBL30415972 0.95 BTK (0.58) BTKEGFRLCKSRCTEK
SCHEMBL24192714 0.95 BTK (0.58) BTKEGFRLCKSRCTEK
SCHEMBL24196863 0.94 BTK (0.57) BTKEGFRLCKSRCTEK
SCHEMBL30416097 0.92 EGFR (0.59) BTKEGFRLCKSRCTEK
SCHEMBL24197324 0.92 EGFR (0.59) BTKEGFRLCKSRCTEK
SCHEMBL24196637 0.91 ERBB3 (0.58) BTKEGFRLCKSRCTEK

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
CN-116134028-A Compound capable of degrading BTK kinase, preparation method and pharmaceutical application thereof 四川海思科制药有限公司 2023-05-16 — — CN disclosed
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