SCHEMBL29094666

SCHEMBL29094666

Cc1nn(-c2ccc(OCc3ccccc3)nc2OCc2ccccc2)c2cccc(C3=CCN(C(=O)O)CC3)c12

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 2/20 0.40
▸ PRMT5 O14744 1/20 0.36
▸ CDK9 P50750 3/20 0.36
▸ CCNT1 O60563 1/20 0.36
▸ HDAC8 Q9BY41 1/20 0.34
▸ BTK Q06187 2/20 0.34
▸ NOX1 Q9Y5S8 1/20 0.33
▸ KHK P50053 1/20 0.33
▸ PDK4 Q16654 1/20 0.33
▸ PDE10A Q9Y233 1/20 0.32
▸ MCL1 Q07820 1/20 0.32
▸ BAK1 Q16611 1/20 0.32

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
SCHEMBL30702803 0.92 PDK4 (0.45) GRM5BTKPDK4PDE10A
SCHEMBL29094532 0.83 KHK (0.42) GRM5PRMT5CDK9CCNT1BTK
Hydrochloric Acid SCHEMBL30702787 0.83 KHK (0.37) GRM5PRMT5CDK9KHK
Hydrochloric Acid SCHEMBL29094536 0.83 KHK (0.37) GRM5PRMT5CDK9KHK
SCHEMBL30273891 0.81 GRM5 (0.37) GRM5PRMT5CDK9CCNT1HDAC8
SCHEMBL25169744 0.76 PRMT5 (0.44) GRM5PRMT5CDK9
SCHEMBL16107429 0.76 PIM1 (0.47) GRM5PRMT5CDK9BTKPDK4
SCHEMBL30702807 0.76 NAMPT (0.41) GRM5PRMT5BTKKHKPDK4
SCHEMBL30702795 0.76 NAMPT (0.41) GRM5PRMT5BTKKHKPDK4
SCHEMBL29197644 0.74 CDK9 (0.39) GRM5PRMT5CDK9CCNT1BTK

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-116891502-A EGFR degrading agent 上海齐鲁制药研究中心有限公司 2023-10-17 — — CN disclosed
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