SCHEMBL9045359

SCHEMBL9045359

COC(=O)CC[C@H](NC(=O)c1ccc(C#Cn2cnc3nc(NC(=O)C(C)(C)C)cc-3c2O)c(F)c1)C(=O)OC

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 2/20 0.36
KDR P35968 3/20 0.33
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
HSD17B10 Q99714 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
TAS1R3 Q7RTX0 5/20 0.31
TAS1R1 Q7RTX1 5/20 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
SCHEMBL9047678 0.90 MAPK14 (0.34) MAPK14KDRKDM4EALDH1A1HPGD
SCHEMBL9044092 0.88 MAPK14 (0.32) MAPK14KDRALDH1A1
SCHEMBL9045199 0.84 MAPK14 (0.37) MAPK14KDRKDM4EALDH1A1HPGD
SCHEMBL9044079 0.83 MAPK14 (0.36) MAPK14KDRKDM4EALDH1A1HPGD
SCHEMBL9044974 0.82 CA12 (0.33)
SCHEMBL9045503 0.81 CYP1A2 (0.33)
SCHEMBL9045922 0.79 TAS1R3 (0.35) MAPK14KDM4EALDH1A1HPGDHSD17B10
SCHEMBL9045652 0.78 MAPK14 (0.32) MAPK14KDRALDH1A1
SCHEMBL9046961 0.78 L3MBTL1 (0.41) KDM4EALDH1A1HPGDHSD17B10L3MBTL1
SCHEMBL9340431 0.78 L3MBTL1 (0.41) KDM4EALDH1A1HPGDHSD17B10L3MBTL1

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
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
US-5248775-A Pyrrolo(2,3-d)pyrimidines THE TRUSTEES OF PRINCETON UNIVERSITY (US) 1993-09-28 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