SCHEMBL23285275

SCHEMBL23285275

C=C1CCC(N2C(=O)c3ccc(N4CCN(CC5CCN(c6ccc(C(=O)NC7CCCCC7)cn6)CC5)CC4)cc3C2=O)C(=O)N1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CRBN Q96SW2 11/20 0.48
▸ AR P10275 6/20 0.48
▸ BTK Q06187 4/20 0.46
▸ HPGDS O60760 3/20 0.42
▸ IRAK1 P51617 1/20 0.42
▸ IRAK4 Q9NWZ3 1/20 0.42
▸ IRAK3 Q9Y616 1/20 0.42
▸ ITK Q08881 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ TSHR P16473 1/20 0.40
▸ PLK4 O00444 1/20 0.40
▸ EGFR P00533 1/20 0.40

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
SCHEMBL24030050 0.93 CRBN (0.55) CRBNARBTKHPGDSIRAK1
SCHEMBL23129054 0.91 CRBN (0.55) CRBNARBTKHPGDSIRAK1
SCHEMBL24030221 0.85 CRBN (0.55) CRBNARBTKHPGDSIRAK1
SCHEMBL27113664 0.85 AR (0.64) CRBNAR
SCHEMBL25899965 0.84 CRBN (0.63) CRBNARBTKHPGDSIRAK1
SCHEMBL23171819 0.84 CRBN (0.63) CRBNARBTKHPGDSIRAK1
SCHEMBL24030246 0.84 BTK (0.54) CRBNARBTKHPGDSIRAK1
SCHEMBL25691418 0.84 CRBN (0.47) CRBNARBTKHPGDSIRAK1
SCHEMBL23129212 0.83 CRBN (0.60) CRBNARBTKHPGDSIRAK1
SCHEMBL24506843 0.82 BTK (0.54) CRBNARBTKHPGDSIRAK1

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-2021081108-A1 METHODS OF TREATING PROSTATE CANCER ARVINAS OPERATIONS, INC. (US) 2021-04-29 — — WO disclosed
Send feedback