SCHEMBL7079271

SCHEMBL7079271

CCOC(=O)c1nc(NC(=O)OC(C)(C)C)cn1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RPS6KA3 P51812 1/20 0.43
GSK3B P49841 1/20 0.39
DYRK1A Q13627 1/20 0.39
ABCB1 P08183 1/20 0.38
MKNK2 Q9HBH9 1/20 0.38
CRHBP P24387 1/20 0.37
CRHR2 Q13324 1/20 0.37
ALDH1A1 P00352 1/20 0.36
KMT2A Q03164 1/20 0.35
ALOX15 P16050 1/20 0.35
WDR5 P61964 1/20 0.35
ADORA2A P29274 3/20 0.34
ADORA1 P30542 2/20 0.34
ADORA3 P0DMS8 2/20 0.34
P2RX7 Q99572 1/20 0.34
CYP1A2 P05177 1/20 0.34
BAZ2B Q9UIF8 1/20 0.34
BAZ2A Q9UIF9 1/20 0.34
PDK1 Q15118 1/20 0.34
PDK2 Q15119 1/20 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
SCHEMBL2389890 0.95 RPS6KA3 (0.45) RPS6KA3GSK3BDYRK1AABCB1MKNK2
SCHEMBL2390274 0.95 RPS6KA3 (0.45) RPS6KA3GSK3BDYRK1AABCB1MKNK2
SCHEMBL13879868 0.88 RPS6KA3 (0.41) RPS6KA3GSK3BDYRK1AABCB1MKNK2
Hydrochloric Acid SCHEMBL22471757 0.88 RPS6KA3 (0.38) RPS6KA3GSK3BDYRK1AABCB1MKNK2
SCHEMBL3418695 0.87 GSK3B (0.42) RPS6KA3GSK3BDYRK1AKMT2AP2RX7
SCHEMBL24630361 0.86 RPS6KA3 (0.39) RPS6KA3GSK3BDYRK1AABCB1MKNK2
SCHEMBL13845509 0.86 RPS6KA3 (0.39) RPS6KA3ABCB1ALDH1A1ADORA2AADORA3
SCHEMBL5004528 0.86 P2RY12 (0.43) RPS6KA3GSK3BDYRK1AABCB1MKNK2
SCHEMBL4015028 0.85 P2RY12 (0.44) RPS6KA3GSK3BDYRK1AABCB1
SCHEMBL24510766 0.85 CA1 (0.44) RPS6KA3ADORA2AADORA3

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020195889-A1 PYRROLE IMIDAZOLE POLY(AMIDE) PRODUCTION METHOD 株式会社カネカ 2020-10-01 WO disclosed
US-20030207400-A1 Vectors for dna delivery BIANCHI ELISABETTA (IT) 2003-11-06 US disclosed
EP-1290198-A2 VECTORS FOR DNA DELIVERY ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2003-03-12 EP disclosed
WO-2001088160-A2 VECTORS FOR DNA DELIVERY ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI, S.P.A. (IT) 2001-11-22 WO disclosed