SCHEMBL24299348

SCHEMBL24299348

Nc1ccc(N2CCC(CN3CCN(c4ccc5c(c4)C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)CC2)cc1

nearest known ligand 0.66

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CRBN Q96SW2 15/20 0.66
▸ DDB1 Q16531 6/20 0.61
▸ AR P10275 4/20 0.55
▸ CDK9 P50750 1/20 0.52
▸ BTK Q06187 2/20 0.51
▸ ESR1 P03372 1/20 0.49
▸ ALDH1A1 P00352 1/20 0.48
▸ CHRM2 P08172 1/20 0.48
▸ OPRM1 P35372 1/20 0.48
▸ IKZF3 Q9UKT9 1/20 0.48
▸ CYP1A2 P05177 1/20 0.48
▸ TSHR P16473 1/20 0.48
▸ TDP1 Q9NUW8 1/20 0.48
▸ EGFR P00533 1/20 0.48
▸ IRAK1 P51617 1/20 0.48
▸ IRAK4 Q9NWZ3 1/20 0.48
▸ IRAK3 Q9Y616 1/20 0.48
▸ PLK4 O00444 1/20 0.47

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
SCHEMBL29986989 1.00 CRBN (0.66) CRBNDDB1ARCDK9BTK
SCHEMBL30984751 0.93 CRBN (0.60) CRBNDDB1ARCDK9BTK
SCHEMBL30984978 0.93 CRBN (0.62) CRBNDDB1ARCDK9BTK
SCHEMBL25384391 0.91 CRBN (0.66) CRBNDDB1ARCDK9BTK
SCHEMBL29260077 0.91 CRBN (0.69) CRBNDDB1ARCDK9BTK
SCHEMBL30984742 0.90 CRBN (0.61) CRBNDDB1ARCDK9BTK
SCHEMBL25172415 0.90 CRBN (0.80) CRBNDDB1ALDH1A1CHRM2OPRM1
SCHEMBL30400867 0.90 CRBN (0.80) CRBNDDB1ALDH1A1CHRM2OPRM1
SCHEMBL23117898 0.90 CRBN (0.58) CRBNDDB1ARCDK9BTK
SCHEMBL23134695 0.90 CRBN (0.58) CRBNDDB1ARCDK9BTK

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
WO-2023274418-A1 PROTEOLYSIS-TARGETING CHIMERIC COMPOUND 南京明德新药研发有限公司 2023-01-05 — — WO disclosed
WO-2022048605-A1 HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, INTERMEDIATE, COMPOSITION, AND APPLICATIONS 南昌奥瑞药业有限公司 2022-03-10 — — WO disclosed
Send feedback