SCHEMBL29535945

SCHEMBL29535945

NC(=O)c1c(-c2ccc(Oc3ccc(F)cc3F)cc2)nn(C2CCN(C3CN(C4CNC4)C3)CC2)c1N

nearest known ligand 0.65

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BTK Q06187 20/20 0.65
EGFR P00533 11/20 0.65
SRC P12931 8/20 0.65
BMX P51813 1/20 0.65
NR4A3 Q92570 1/20 0.65

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
SCHEMBL28568473 0.97 BTK (0.66) BTKEGFRSRCBMXNR4A3
SCHEMBL28567975 0.87 BTK (0.64) BTKEGFRSRCBMXNR4A3
SCHEMBL28574332 0.86 BTK (0.69) BTKEGFRSRCBMXNR4A3
SCHEMBL28568488 0.85 BTK (0.66) BTKEGFRSRCBMXNR4A3
SCHEMBL15670197 0.85 BTK (0.69) BTKEGFRSRCBMXNR4A3
SCHEMBL15669389 0.85 BTK (0.69) BTKEGFRSRCBMXNR4A3
SCHEMBL15669390 0.85 BTK (0.69) BTKEGFRSRCBMXNR4A3
SCHEMBL19636166 0.83 BTK (0.82) BTKEGFRSRCBMXNR4A3
SCHEMBL19635984 0.82 BTK (0.91) BTKEGFRSRCBMXNR4A3
SCHEMBL28568472 0.81 BTK (0.49) BTKEGFRSRCBMXNR4A3

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-112812100-B Compound capable of degrading BTK kinase, preparation method and pharmaceutical application thereof 四川海思科制药有限公司 2022-04-05 CN disclosed