SCHEMBL29976265

SCHEMBL29976265

COc1cc(N2CCC(N3CCN(CC4CCN(c5ccc6c(c5)C(=O)N(C5CCC(=O)NC5=O)C6=O)C4)CC3)CC2)c(C2CC2)cc1[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CRBN Q96SW2 11/20 0.44
▸ PLK4 O00444 3/20 0.44
▸ CDK9 P50750 1/20 0.44
▸ ALK Q9UM73 4/20 0.43
▸ DDB1 Q16531 2/20 0.43
▸ BTK Q06187 3/20 0.43
▸ IRAK1 P51617 2/20 0.43
▸ IRAK4 Q9NWZ3 2/20 0.43
▸ IRAK3 Q9Y616 2/20 0.43
▸ AR P10275 4/20 0.42
▸ 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

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
SCHEMBL27163130 1.00 CRBN (0.44) CRBNPLK4CDK9ALKDDB1
SCHEMBL29976308 0.96 CDK9 (0.47) CRBNPLK4CDK9ALKDDB1
SCHEMBL27162159 0.96 CDK9 (0.47) CRBNPLK4CDK9ALKDDB1
SCHEMBL27161964 0.94 CDK9 (0.49) CRBNPLK4CDK9ALKDDB1
SCHEMBL29976842 0.94 CDK9 (0.49) CRBNPLK4CDK9ALKDDB1
SCHEMBL27161991 0.94 CRBN (0.47) CRBNPLK4CDK9ALKDDB1
SCHEMBL29976262 0.94 CRBN (0.47) CRBNPLK4CDK9ALKDDB1
SCHEMBL28795316 0.93 PLK4 (0.45) CRBNPLK4CDK9ALKDDB1
SCHEMBL27162472 0.90 CRBN (0.46) CRBNPLK4CDK9ALKDDB1
SCHEMBL28795245 0.89 CRBN (0.47) CRBNPLK4CDK9ALKDDB1

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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