SCHEMBL29058510

SCHEMBL29058510

CC(C)(C)OC(=O)c1ccc(N2CCN(CC3CN(c4ccc5c(c4)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)CC2)nn1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CRBN Q96SW2 10/20 0.50
▸ AR P10275 5/20 0.50
▸ ALK Q9UM73 4/20 0.48
▸ DDB1 Q16531 1/20 0.47
▸ BTK Q06187 2/20 0.47
▸ ITK Q08881 1/20 0.45
▸ PLK4 O00444 1/20 0.43
▸ RAF1 P04049 2/20 0.43
▸ IRAK1 P51617 1/20 0.42
▸ IRAK4 Q9NWZ3 1/20 0.42
▸ IRAK3 Q9Y616 1/20 0.42
▸ CDK9 P50750 1/20 0.42

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
SCHEMBL29058484 0.94 CRBN (0.54) CRBNARALKDDB1BTK
SCHEMBL30488998 0.94 CRBN (0.54) CRBNARALKDDB1BTK
SCHEMBL29058485 0.88 CRBN (0.59) CRBNARALKDDB1BTK
SCHEMBL27098666 0.86 CRBN (0.56) CRBNARALKDDB1BTK
SCHEMBL20046305 0.85 LRRK2 (0.52) CRBNARDDB1RAF1IRAK4
SCHEMBL31605536 0.85 AR (0.63) CRBNARDDB1BTKPLK4
SCHEMBL31605508 0.85 AR (0.63) CRBNARDDB1BTKPLK4
SCHEMBL31605498 0.85 AR (0.63) CRBNARDDB1BTKPLK4
SCHEMBL23705642 0.85 CRBN (0.55) CRBNARALKDDB1BTK
SCHEMBL30060582 0.85 CRBN (0.55) CRBNARALKDDB1BTK

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
CN-112010858-B BTK inhibitor, preparation method and pharmaceutical application thereof 四川海思科制药有限公司 2023-07-18 — — CN disclosed
CN-112010858-A BTK inhibitor, preparation method and pharmaceutical application thereof 四川海思科制药有限公司 2020-12-01 — — CN disclosed
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