SCHEMBL9045884

SCHEMBL9045884

COC(=O)CC[C@H](NC(=O)c1ccc(C#Cn2cnc3nc(C)c(OC(=O)C(C)(C)C)c-3c2O)cc1)C(=O)OC

nearest known ligand 0.31

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 2/20 0.31
▸ L3MBTL1 Q9Y468 2/20 0.31
▸ ITGB1 P05556 1/20 0.31
▸ ITGA4 P13612 1/20 0.31
▸ ALDH1A1 P00352 2/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ TAS1R3 Q7RTX0 1/20 0.30
▸ TAS1R1 Q7RTX1 1/20 0.30
▸ CYP26A1 O43174 1/20 0.30
▸ GAA P10253 1/20 0.30
▸ RAB9A P51151 1/20 0.30
▸ MAPK1 P28482 1/20 0.30

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
SCHEMBL9776186 0.89 L3MBTL1 (0.32) MAPK14L3MBTL1ITGB1ITGA4ALDH1A1
SCHEMBL9046156 0.83 TAS1R3 (0.37) MAPK14L3MBTL1ALDH1A1KDM4EHPGD
SCHEMBL9046356 0.82 PTPN11 (0.33) ALDH1A1KDM4EHPGDHSD17B10GAA
SCHEMBL9471289 0.80 MAPK14 (0.37) MAPK14L3MBTL1ITGB1ITGA4ALDH1A1
SCHEMBL9044791 0.80 L3MBTL1 (0.33) L3MBTL1RAB9A
SCHEMBL9046699 0.80 USP2 (0.34) GAA
SCHEMBL9044170 0.79 CYP26A1 (0.36) MAPK14L3MBTL1ITGB1ITGA4ALDH1A1
SCHEMBL9047678 0.79 MAPK14 (0.34) MAPK14L3MBTL1ITGB1ITGA4ALDH1A1
SCHEMBL9045924 0.78 MAPT (0.33) —
SCHEMBL9046580 0.78 ELANE (0.36) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0432677-B1 N-(pyrrolo[2,3-d]pyrimidin-3-ylacyl)-glutamic acid derivatives UNIV PRINCETON (US) 1996-03-06 — — EP disclosed
US-5344932-A N-(pyrrolo(2,3-d)pyrimidin-3-ylacyl)-glutamic acid derivatives TRUSTEES OF PRINCETON UNIVERSITY (US) 1994-09-06 — — US disclosed
EP-0432677-A1 N-(pyrrolo[2,3-d]pyrimidin-3-ylacyl)-glutamic acid derivatives THE TRUSTEES OF PRINCETON UNIVERSITY (US) 1991-06-19 — — EP disclosed
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