SCHEMBL29976262

SCHEMBL29976262

COc1cc(N2CCN(C3CCN(CC4CCN(c5ccc6c(c5)C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)CC3)CC2)c(C2CC2)cc1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CRBN Q96SW2 12/20 0.47
▸ AR P10275 6/20 0.47
▸ CDK9 P50750 1/20 0.47
▸ IRAK1 P51617 2/20 0.46
▸ IRAK4 Q9NWZ3 2/20 0.46
▸ IRAK3 Q9Y616 2/20 0.46
▸ DDB1 Q16531 2/20 0.44
▸ ALK Q9UM73 2/20 0.43
▸ PLK4 O00444 2/20 0.42
▸ BTK Q06187 2/20 0.42
▸ BRD9 Q9H8M2 1/20 0.40
▸ CCNC P24863 1/20 0.40
▸ CDK8 P49336 1/20 0.40
▸ NTRK3 Q16288 1/20 0.40
▸ HASPIN Q8TF76 1/20 0.40
▸ CDK19 Q9BWU1 1/20 0.40
▸ MAPT P10636 1/20 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
SCHEMBL27161991 1.00 CRBN (0.47) CRBNARCDK9IRAK1IRAK4
SCHEMBL27162159 0.98 CDK9 (0.47) CRBNARCDK9IRAK1IRAK4
SCHEMBL29976308 0.98 CDK9 (0.47) CRBNARCDK9IRAK1IRAK4
SCHEMBL29976842 0.97 CDK9 (0.49) CRBNARCDK9IRAK1IRAK4
SCHEMBL27161964 0.97 CDK9 (0.49) CRBNARCDK9IRAK1IRAK4
SCHEMBL29976265 0.94 CRBN (0.44) CRBNARCDK9IRAK1IRAK4
SCHEMBL27163130 0.94 CRBN (0.44) CRBNARCDK9IRAK1IRAK4
SCHEMBL29976075 0.94 CRBN (0.49) CRBNARCDK9IRAK1IRAK4
SCHEMBL27161955 0.94 CRBN (0.49) CRBNARCDK9IRAK1IRAK4
SCHEMBL28795207 0.93 CRBN (0.47) CRBNARCDK9IRAK1IRAK4

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-2022228547-A1 PHOSPHONYL DERIVATIVE, AND COMPOSITION AND PHARMACEUTICAL APPLICATION THEREOF 四川海思科制药有限公司 2022-11-03 — — WO disclosed
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