SCHEMBL29058482

SCHEMBL29058482

O=C1CCC(N2C(=O)c3ccc(N4CCN(CC5CCN(c6ccc(C(=O)OC(=O)C(F)(F)F)nn6)CC5)CC4)cc3C2=O)C(=O)N1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 5/20 0.51
▸ CRBN Q96SW2 13/20 0.50
▸ BTK Q06187 4/20 0.47
▸ CDK9 P50750 1/20 0.45
▸ IRAK1 P51617 1/20 0.44
▸ IRAK4 Q9NWZ3 1/20 0.44
▸ IRAK3 Q9Y616 1/20 0.44
▸ ITK Q08881 2/20 0.44
▸ RAF1 P04049 2/20 0.43
▸ ESR1 P03372 1/20 0.42
▸ PLK4 O00444 1/20 0.42
▸ EGFR P00533 1/20 0.42
▸ HPGDS O60760 1/20 0.42
▸ IL2 P60568 1/20 0.41

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
Trifluoroacetic Acid SCHEMBL29058487 0.90 CRBN (0.51) ARCRBNBTKCDK9IRAK1
SCHEMBL30488998 0.89 CRBN (0.54) ARCRBNBTKCDK9IRAK1
SCHEMBL29058484 0.89 CRBN (0.54) ARCRBNBTKCDK9IRAK1
SCHEMBL29058473 0.89 CRBN (0.56) ARCRBNBTKCDK9IRAK1
SCHEMBL29597385 0.88 CRBN (0.55) ARCRBNBTKCDK9IRAK1
SCHEMBL29058510 0.83 CRBN (0.50) ARCRBNBTKCDK9IRAK1
SCHEMBL24299580 0.83 CRBN (0.59) ARCRBNBTKCDK9IRAK1
SCHEMBL23129059 0.82 CRBN (0.56) ARCRBNBTKCDK9IRAK1
SCHEMBL24298644 0.81 CRBN (0.53) ARCRBNBTKCDK9IRAK1
SCHEMBL29207920 0.81 CRBN (0.63) ARCRBNHPGDS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112010858-B BTK inhibitor, preparation method and pharmaceutical application thereof 四川海思科制药有限公司 2023-07-18 — — CN disclosed
CN-112010858-A BTK inhibitor, preparation method and pharmaceutical application thereof 四川海思科制药有限公司 2020-12-01 — — CN disclosed
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