SCHEMBL30488998

SCHEMBL30488998

CC(C)(C)OC(=O)c1ccc(N2CCC(CN3CCN(c4ccc5c(c4)C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)CC2)nn1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CRBN Q96SW2 12/20 0.54
▸ AR P10275 5/20 0.54
▸ CDK9 P50750 1/20 0.47
▸ DDB1 Q16531 1/20 0.47
▸ BTK Q06187 4/20 0.47
▸ IRAK1 P51617 1/20 0.46
▸ IRAK4 Q9NWZ3 1/20 0.46
▸ IRAK3 Q9Y616 1/20 0.46
▸ ITK Q08881 1/20 0.44
▸ RAF1 P04049 2/20 0.44
▸ PLK4 O00444 1/20 0.43
▸ EGFR P00533 1/20 0.43
▸ ALK Q9UM73 1/20 0.43
▸ HPGDS O60760 1/20 0.43

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 1.00 CRBN (0.54) CRBNARCDK9DDB1BTK
SCHEMBL29058510 0.94 CRBN (0.50) CRBNARCDK9DDB1BTK
SCHEMBL31605498 0.89 AR (0.63) CRBNARCDK9DDB1BTK
SCHEMBL31605536 0.89 AR (0.63) CRBNARCDK9DDB1BTK
SCHEMBL31605508 0.89 AR (0.63) CRBNARCDK9DDB1BTK
SCHEMBL29597385 0.89 CRBN (0.55) CRBNARCDK9DDB1BTK
SCHEMBL22645400 0.89 CRBN (0.54) CRBNARCDK9DDB1BTK
SCHEMBL29058482 0.89 AR (0.51) CRBNARCDK9BTKIRAK1
SCHEMBL21477174 0.88 CRBN (0.58) CRBNARCDK9DDB1BTK
Trifluoroacetic Acid SCHEMBL29058487 0.87 CRBN (0.51) CRBNARCDK9BTKIRAK1

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-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
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