SCHEMBL6963674

SCHEMBL6963674

N#Cc1c(C(=O)O)cnn1-c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
NR4A3 Q92570 1/20 0.55
MAPT P10636 1/20 0.55
KEAP1 Q14145 1/20 0.54
NFE2L2 Q16236 1/20 0.54
MAPK1 P28482 1/20 0.50
RIPK2 O43353 1/20 0.50
MAPK14 Q16539 1/20 0.48
ALDH1A1 P00352 2/20 0.46
HPGD P15428 1/20 0.46
XDH P47989 1/20 0.44
SLC9A1 P19634 1/20 0.43
SLC9A2 Q9UBY0 1/20 0.43
USP7 Q93009 1/20 0.43
KDM4E B2RXH2 1/20 0.43

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
SCHEMBL10892897 0.88 XDH (0.43) POLBSMN1; SMN2L3MBTL1NR4A3MAPT
SCHEMBL10365977 0.88 RIPK2 (0.63) POLBSMN1; SMN2L3MBTL1NR4A3MAPT
SCHEMBL10366100 0.86 XDH (0.45) POLBSMN1; SMN2L3MBTL1NR4A3MAPT
SCHEMBL2870416 0.86 PTPN1 (0.46) POLBSMN1; SMN2L3MBTL1NR4A3MAPT
SCHEMBL10893230 0.86 MAPK14 (0.53) POLBSMN1; SMN2L3MBTL1NR4A3MAPT
SCHEMBL10890676 0.86 RAB9A (0.49) POLBSMN1; SMN2L3MBTL1NR4A3MAPT
SCHEMBL10366200 0.86 NOTUM (0.52) POLBSMN1; SMN2L3MBTL1NR4A3MAPT
SCHEMBL10897041 0.86 RXRA (0.50) POLBSMN1; SMN2L3MBTL1NR4A3MAPT
SCHEMBL10891390 0.84 MAPK14 (0.54) POLBSMN1; SMN2L3MBTL1NR4A3MAPT
SCHEMBL10897037 0.84 KMT2A (0.53) L3MBTL1NR4A3KEAP1NFE2L2MAPK1

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
US-4631343-A Cyanopyrazole intermediates ELI LILLY AND COMPANY (US) 1986-12-23 US claimed
EP-1329160-A2 4-ACYLAMINOPYRAZOLE DERIVATIVES Sankyo Company, Limited (JP) 2003-07-23 EP disclosed
US-4631343-A Cyanopyrazole intermediates ELI LILLY AND COMPANY (US) 1986-12-23 US disclosed