SCHEMBL22904495

SCHEMBL22904495

CC(C)(C)OC(=O)NCCCCCCCC#Cc1ccccc1Oc1cccc2c1C(=O)NC(=O)C2=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDPK1 O15530 1/20 0.42
▸ CCNB2 O95067 1/20 0.42
▸ PRKCB P05771 1/20 0.42
▸ CDK1 P06493 1/20 0.42
▸ LYN P07948 1/20 0.42
▸ CCNB1 P14635 1/20 0.42
▸ CCNA2 P20248 1/20 0.42
▸ CDK2 P24941 1/20 0.42
▸ GSK3B P49841 1/20 0.42
▸ RPS6KA3 P51812 1/20 0.42
▸ CCNA1 P78396 1/20 0.42
▸ CCNB3 Q8WWL7 1/20 0.42
▸ DDB1 Q16531 1/20 0.42
▸ CRBN Q96SW2 1/20 0.42
▸ CAMK2D Q13557 2/20 0.40
▸ MALT1 Q9UDY8 1/20 0.38
▸ DRD2 P14416 5/20 0.38
▸ IDO1 P14902 1/20 0.37
▸ TPSAB1 Q15661 1/20 0.37
▸ TPSD1 Q9BZJ3 1/20 0.37

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
SCHEMBL22904494 1.00 PDPK1 (0.42) PDPK1CCNB2PRKCBCDK1LYN
SCHEMBL22904278 0.86 ADORA3 (0.41) PDPK1CCNB2PRKCBCDK1LYN
SCHEMBL22904572 0.85 DDB1 (0.43) PDPK1CCNB2PRKCBCDK1LYN
SCHEMBL22904570 0.85 DDB1 (0.43) PDPK1CCNB2PRKCBCDK1LYN
SCHEMBL22904156 0.83 IDO1 (0.43) PDPK1CCNB2PRKCBCDK1LYN
SCHEMBL22904357 0.81 DDB1 (0.44) PDPK1CCNB2PRKCBCDK1LYN
SCHEMBL22904497 0.79 CA1 (0.41) PDPK1CCNB2PRKCBCDK1LYN
SCHEMBL22904111 0.77 ADORA3 (0.34) PDPK1CCNB2PRKCBCDK1LYN
SCHEMBL22904409 0.73 DRD2 (0.41) DDB1CRBNDRD2ADORA3
SCHEMBL22904364 0.73 DDB1 (0.51) PDPK1CCNB2PRKCBCDK1LYN

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-2021011631-A1 FUSED-GLUTARIMIDE CRBN LIGANDS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2021-01-21 — — WO disclosed
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