SCHEMBL24299580

SCHEMBL24299580

Nc1ccc(N2CCC(CN3CCN(c4ccc5c(c4)C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)CC2)nn1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CRBN Q96SW2 14/20 0.59
▸ BTK Q06187 3/20 0.51
▸ AR P10275 5/20 0.51
▸ DDB1 Q16531 4/20 0.49
▸ CDK9 P50750 1/20 0.48
▸ IRAK1 P51617 1/20 0.46
▸ IRAK4 Q9NWZ3 1/20 0.46
▸ IRAK3 Q9Y616 1/20 0.46
▸ ESR1 P03372 1/20 0.46
▸ PLK4 O00444 1/20 0.45
▸ ALK Q9UM73 1/20 0.45
▸ EGFR P00533 1/20 0.45

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
SCHEMBL24299483 0.89 CRBN (0.62) CRBNBTKARDDB1CDK9
SCHEMBL29597385 0.89 CRBN (0.55) CRBNBTKARDDB1CDK9
SCHEMBL23117898 0.88 CRBN (0.58) CRBNBTKARDDB1CDK9
SCHEMBL29822185 0.88 CRBN (0.58) CRBNBTKARDDB1CDK9
SCHEMBL24299348 0.87 CRBN (0.66) CRBNBTKARDDB1CDK9
SCHEMBL29986989 0.87 CRBN (0.66) CRBNBTKARDDB1CDK9
SCHEMBL24299443 0.86 CRBN (0.59) CRBNESR1
SCHEMBL24299390 0.86 CRBN (0.52) CRBNESR1
SCHEMBL31447942 0.86 CRBN (0.62) CRBNBTKARDDB1CDK9
SCHEMBL24298644 0.85 CRBN (0.53) CRBNBTKARDDB1CDK9

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-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
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