SCHEMBL21612953

SCHEMBL21612953

CC(C)(C)C(C(N)=O)(C(=O)N1CCCC1)c1nc(N2CCNCC2)ccc1C(N)=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRKD1 Q15139 2/20 0.37
▸ PRKD2 Q9BZL6 2/20 0.37
▸ PRKD3 O94806 1/20 0.37
▸ SYK P43405 2/20 0.35
▸ KDM4E B2RXH2 3/20 0.35
▸ CYP3A4 P08684 2/20 0.35
▸ HSD17B10 Q99714 2/20 0.35
▸ IRAK4 Q9NWZ3 2/20 0.35
▸ HRH4 Q9H3N8 3/20 0.34
▸ HTR2C P28335 2/20 0.34
▸ HTR2A P28223 1/20 0.34
▸ PRKCA P17252 2/20 0.34
▸ PRKCQ Q04759 2/20 0.34
▸ PRKCD Q05655 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ HRH3 Q9Y5N1 1/20 0.34
▸ HTR3E A5X5Y0 2/20 0.34
▸ HTR3B O95264 2/20 0.34
▸ ALDH1A1 P00352 2/20 0.34

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
SCHEMBL30572289 0.72 IKBKB (0.45) PRKD1PRKD2PRKD3KDM4ECYP3A4
SCHEMBL30612354 0.70 KDM4E (0.46) KDM4ECYP3A4HSD17B10HRH4HTR2C
SCHEMBL16613201 0.69 ADRB2 (0.52) PRKD1PRKD2PRKD3KDM4ECYP3A4
SCHEMBL30955001 0.68 KDM4E (0.40) PRKD1PRKD2PRKD3KDM4ECYP3A4
SCHEMBL10169212 0.64 BTK (0.46) SYKKDM4EHSD17B10IRAK4MEN1
SCHEMBL16597825 0.64 BTK (0.48) CYP3A4HSD17B10IRAK4HTR2APRKCA
SCHEMBL4117671 0.64 ALDH1A1 (0.61) KDM4EIRAK4ALDH1A1
SCHEMBL10169216 0.63 BTK (0.47) SYKKDM4EHSD17B10IRAK4MEN1
SCHEMBL20998482 0.63 PARP1 (0.50) KDM4EHSD17B10IRAK4MEN1KMT2A
SCHEMBL3686674 0.63 KDM4E (0.47) PRKD1PRKD2KDM4ECYP3A4HSD17B10

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-2020009176-A1 AMIDE COMPOUND HAVING BET PROTEOLYSIS-INDUCING ACTION AND MEDICINAL APPLICATION THEREOF 田辺三菱製薬株式会社 2020-01-09 — — WO disclosed
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