SCHEMBL25329541

SCHEMBL25329541

O=CC1CCN(CC2CCN(c3ccc4c(c3)C(=O)N([C@@H]3CCC(=O)NC3=O)C4=O)CC2)CC1

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CRBN Q96SW2 16/20 0.66
▸ AR P10275 4/20 0.58
▸ DDB1 Q16531 8/20 0.52
▸ BTK Q06187 3/20 0.48
▸ 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
▸ CDK9 P50750 1/20 0.47
▸ 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
SCHEMBL26969608 1.00 CRBN (0.66) CRBNARDDB1BTKALDH1A1
SCHEMBL31306523 0.93 CRBN (0.66) CRBNARDDB1BTKALDH1A1
SCHEMBL20317461 0.91 CRBN (0.79) CRBNDDB1ALDH1A1CHRM2OPRM1
SCHEMBL30144121 0.91 CRBN (0.66) CRBNARDDB1BTKALDH1A1
SCHEMBL23860209 0.91 CRBN (0.66) CRBNARDDB1BTKALDH1A1
SCHEMBL31447732 0.89 CRBN (0.80) CRBNARDDB1BTKALDH1A1
SCHEMBL24421652 0.89 CRBN (0.69) CRBNARDDB1BTKALDH1A1
SCHEMBL26969669 0.89 CRBN (0.69) CRBNARDDB1BTKALDH1A1
SCHEMBL30160860 0.89 CRBN (0.74) CRBNARDDB1BTKALDH1A1
SCHEMBL30692989 0.88 CRBN (0.65) CRBNARDDB1BTKALDH1A1

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-2023143482-A1 2-AMINOPYRIMIDINE COMPOUND OR SALT, PREPARATION METHOD THEREFOR AND USE THEREOF 上海辉启生物医药科技有限公司 2023-08-03 — — WO disclosed
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