SCHEMBL13560567

SCHEMBL13560567

CC(OC(=O)c1cc2cc(N)ccc2n1C(=O)O)C(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCR2 P41597 1/20 0.35
▸ CHEK1 O14757 1/20 0.34
▸ AURKA O14965 1/20 0.34
▸ DAPK3 O43293 1/20 0.34
▸ CSNK1A1 P48729 1/20 0.34
▸ GSK3A P49840 1/20 0.34
▸ LIMK1 P53667 1/20 0.34
▸ IKBKE Q14164 1/20 0.34
▸ MAPK14 Q16539 1/20 0.34
▸ TAOK1 Q7L7X3 1/20 0.34
▸ CLK4 Q9HAZ1 1/20 0.34
▸ DYRK1B Q9Y463 1/20 0.34
▸ NTSR1 P30989 1/20 0.33
▸ BRPF1 P55201 2/20 0.33
▸ PTGES O14684 2/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL13560544 0.90 CCR2 (0.35) CCR2NTSR1BRPF1GRM1
SCHEMBL13560471 0.86 CLK1 (0.37) CCR2DYRK1BPTGESL3MBTL1KDM4E
SCHEMBL13560627 0.81 CCR2 (0.39) CCR2ALDH1A1SMN1; SMN2
SCHEMBL13560466 0.78 SRD5A2 (0.55) —
SCHEMBL13560510 0.77 SRD5A2 (0.35) PTGESL3MBTL1KDM4EALDH1A1HPGD
SCHEMBL13560477 0.77 SRD5A2 (0.35) L3MBTL1KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL13560410 0.75 SRD5A2 (0.34) PTGESL3MBTL1KDM4EALDH1A1HPGD
SCHEMBL13560440 0.74 CCR2 (0.39) CCR2L3MBTL1KDM4EALDH1A1HPGD
SCHEMBL23176776 0.72 NR1H2 (0.42) CCR2CHEK1AURKADAPK3CSNK1A1
SCHEMBL29524657 0.72 NR1H2 (0.42) CCR2CHEK1AURKADAPK3CSNK1A1

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
US-8304419-B2 Chemical compounds GLAXOSMITHKLINE LLC (US) 2012-11-06 — — US disclosed
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