SCHEMBL24671174

SCHEMBL24671174

O=C1CCC(N2C(=O)c3ccc(N4CC[C@H](CN5CCC(C(=O)O)CC5)C4)cc3C2=O)C(=O)N1

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CRBN Q96SW2 18/20 0.60
▸ BTK Q06187 3/20 0.57
▸ AR P10275 4/20 0.53
▸ DDB1 Q16531 8/20 0.48
▸ PLK4 O00444 1/20 0.48
▸ HPGDS O60760 2/20 0.47
▸ ALDH1A1 P00352 1/20 0.46
▸ CHRM2 P08172 1/20 0.46
▸ OPRM1 P35372 1/20 0.46
▸ IKZF3 Q9UKT9 1/20 0.46

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
SCHEMBL31055547 1.00 CRBN (0.60) CRBNBTKARDDB1PLK4
SCHEMBL29681788 0.95 CRBN (0.65) CRBNBTKARDDB1HPGDS
SCHEMBL24206867 0.95 CRBN (0.65) CRBNBTKARDDB1HPGDS
SCHEMBL26928997 0.91 CRBN (0.60) CRBNBTKARDDB1PLK4
SCHEMBL30692979 0.91 CRBN (0.60) CRBNBTKARDDB1PLK4
SCHEMBL31579239 0.90 CRBN (0.63) CRBNBTKARDDB1PLK4
SCHEMBL24832995 0.88 CRBN (0.71) CRBNDDB1HPGDSALDH1A1CHRM2
SCHEMBL24352301 0.88 CRBN (0.71) CRBNDDB1HPGDSALDH1A1CHRM2
SCHEMBL30680834 0.88 CRBN (0.71) CRBNDDB1HPGDSALDH1A1CHRM2
SCHEMBL20046223 0.88 CRBN (0.71) CRBNDDB1HPGDSALDH1A1CHRM2

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-2022235715-A1 COMPOUNDS FOR INHIBITING OR DEGRADING ITK, COMPOSITIONS, COMPRISING THE SAME METHODS OF THEIR MAKING AND METHODS OF THEIR USE NURIX THERAPEUTICS, INC. (US) 2022-11-10 — — WO disclosed
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