SCHEMBL29494178

SCHEMBL29494178

CC(C)(C)OC(=O)c1ccc(N2CCN(c3ccc4c(c3)C(=O)N(C3CCC(=O)NC3=O)C4=O)CC2)nc1

nearest known ligand 0.58

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CRBN Q96SW2 20/20 0.58
▸ BTK Q06187 1/20 0.52
▸ HPGDS O60760 2/20 0.51
▸ DDB1 Q16531 8/20 0.50
▸ AR P10275 5/20 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
SCHEMBL24734963 1.00 CRBN (0.58) CRBNBTKHPGDSDDB1AR
SCHEMBL29841399 1.00 CRBN (0.58) CRBNBTKHPGDSDDB1AR
SCHEMBL22645400 0.93 CRBN (0.54) CRBNBTKHPGDSDDB1AR
SCHEMBL29841424 0.88 CRBN (0.54) CRBNBTKHPGDSDDB1AR
SCHEMBL24734969 0.88 CRBN (0.54) CRBNBTKHPGDSDDB1AR
SCHEMBL24735571 0.88 IRAK4 (0.51) CRBNBTKHPGDSDDB1
SCHEMBL29841322 0.88 IRAK4 (0.51) CRBNBTKHPGDSDDB1
SCHEMBL20046645 0.88 CRBN (0.46) CRBNBTKHPGDSDDB1AR
SCHEMBL20076100 0.88 CRBN (0.46) CRBNBTKHPGDSDDB1AR
SCHEMBL22661369 0.87 CRBN (0.65) CRBNBTKHPGDSDDB1

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
CN-114292270-A BTK inhibitor and preparation method and application thereof 南方医科大学 2022-04-08 — — CN disclosed
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