SCHEMBL20076100

SCHEMBL20076100

CC(C)(C)OC(=O)c1ccc(N2CC[C@@H]3CC(N4CCN(c5ccc6c(c5)C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)CCC3C2)nc1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CRBN Q96SW2 13/20 0.46
▸ HPGDS O60760 2/20 0.46
▸ BTK Q06187 3/20 0.46
▸ AR P10275 5/20 0.46
▸ DDB1 Q16531 3/20 0.43
▸ IRAK1 P51617 2/20 0.41
▸ IRAK4 Q9NWZ3 2/20 0.41
▸ IRAK3 Q9Y616 2/20 0.41
▸ CCNC P24863 1/20 0.41
▸ CDK8 P49336 1/20 0.41
▸ NTRK3 Q16288 1/20 0.41
▸ HASPIN Q8TF76 1/20 0.41
▸ CDK19 Q9BWU1 1/20 0.41
▸ MAP4K1 Q92918 1/20 0.40
▸ RAF1 P04049 2/20 0.39

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
SCHEMBL20046645 1.00 CRBN (0.46) CRBNHPGDSBTKARDDB1
SCHEMBL20046644 0.90 CRBN (0.51) CRBNHPGDSBTKARDDB1
SCHEMBL24734963 0.88 CRBN (0.58) CRBNHPGDSBTKARDDB1
SCHEMBL29494178 0.88 CRBN (0.58) CRBNHPGDSBTKARDDB1
SCHEMBL29841399 0.88 CRBN (0.58) CRBNHPGDSBTKARDDB1
SCHEMBL22645400 0.83 CRBN (0.54) CRBNHPGDSBTKARDDB1
SCHEMBL29841424 0.79 CRBN (0.54) CRBNHPGDSBTKARDDB1
SCHEMBL24734969 0.79 CRBN (0.54) CRBNHPGDSBTKARDDB1
SCHEMBL20046323 0.79 AR (0.78) CRBNHPGDSBTKAR
SCHEMBL31427056 0.79 AR (0.78) CRBNHPGDSBTKAR

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
EP-3660004-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF ANDROGEN RECEPTOR Arvinas Operations, Inc. (US) 2020-06-03 — — EP disclosed
WO-2018071606-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF ANDROGEN RECEPTOR Arvinas, Inc. (US) 2018-04-19 — — WO disclosed
Send feedback