SCHEMBL19225593

SCHEMBL19225593

Cc1ccc(C(=O)NCCN2C(=O)C(Cc3c[nH]c4c(Cl)cccc34)NC2O)cc1CCc1cnc2cccnn12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 5/20 0.48
RIPK2 O43353 1/20 0.48
RIPK3 Q9Y572 1/20 0.48
ABL1 P00519 5/20 0.41
TNF P01375 4/20 0.32
MAPT P10636 1/20 0.32
CYP3A4 P08684 3/20 0.32
KCNH2 Q12809 3/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
MAPK1 P28482 1/20 0.32
KMT2A Q03164 1/20 0.32
FYN P06241 1/20 0.31
LCK P06239 2/20 0.31
SRC P12931 2/20 0.31
PDGFRA P16234 2/20 0.31
EPHB2 P29323 2/20 0.31
EPHB3 P54753 2/20 0.31
EPHB4 P54760 2/20 0.31
NEK6 Q9HC98 2/20 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
SCHEMBL16084951 0.91 RIPK1 (0.59) RIPK1RIPK2RIPK3ABL1TNF
SCHEMBL16084957 0.87 RIPK1 (0.61) RIPK1RIPK2RIPK3ABL1TNF
SCHEMBL17471697 0.85 RIPK1 (0.45) RIPK1RIPK2RIPK3ABL1MAPT
SCHEMBL16084980 0.80 RIPK1 (0.49) RIPK1RIPK2RIPK3TNFMAPT
SCHEMBL16084969 0.77 RIPK1 (0.75) RIPK1RIPK2RIPK3ABL1CYP3A4
SCHEMBL16084961 0.76 RIPK1 (0.55) RIPK1RIPK2RIPK3ABL1TNF
SCHEMBL16085012 0.76 RIPK1 (0.55) RIPK1RIPK2RIPK3ABL1TNF
SCHEMBL16084943 0.76 RIPK1 (0.75) RIPK1RIPK2RIPK3ABL1TNF
SCHEMBL19225534 0.75 RIPK1 (0.58) RIPK1RIPK2RIPK3ABL1CYP3A4
SCHEMBL19225532 0.75 RIPK1 (0.55) RIPK1RIPK2RIPK3ABL1TNF

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-9725452-B2 Substituted indoles and pyrroles as RIP kinase inhibitors PRESIDENTS AND FELLOWS OF HARVARD COLLEGE (US) 2017-08-08 US disclosed