SCHEMBL16084946

SCHEMBL16084946

Cc1ccc(C(=O)NCCCN2C(=O)NC(Cc3c[nH]c4c(Cl)cccc34)C2=O)cc1C#Cc1cnc2cccnn12

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 3/20 0.77
RIPK2 O43353 2/20 0.77
RIPK3 Q9Y572 2/20 0.77
ABL1 P00519 11/20 0.47
CYP3A4 P08684 6/20 0.46
KCNH2 Q12809 6/20 0.46
ROR1 Q01973 5/20 0.45
CSF1R P07333 2/20 0.44
LCK P06239 3/20 0.44
SRC P12931 3/20 0.44
PDGFRA P16234 3/20 0.44
EPHB2 P29323 3/20 0.44
EPHB3 P54753 3/20 0.44
EPHB4 P54760 3/20 0.44
NEK6 Q9HC98 2/20 0.44
DDR2 Q16832 2/20 0.44
MAP4K3 Q8IVH8 1/20 0.44
GAK O14976 1/20 0.42
MLNR O43193 1/20 0.42
JAK2 O60674 1/20 0.42

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
SCHEMBL16084969 0.96 RIPK1 (0.75) RIPK1RIPK2RIPK3ABL1CYP3A4
SCHEMBL16084960 0.91 RIPK1 (0.67) RIPK1RIPK2RIPK3ABL1CYP3A4
SCHEMBL16084981 0.90 RIPK1 (0.62) RIPK1RIPK2RIPK3ABL1
SCHEMBL17471719 0.88 RIPK1 (0.99) RIPK1RIPK2RIPK3ABL1CYP3A4
SCHEMBL29686895 0.87 RIPK1 (1.00) RIPK1RIPK2RIPK3ABL1CYP3A4
SCHEMBL16084942 0.87 RIPK1 (1.00) RIPK1RIPK2RIPK3ABL1CYP3A4
SCHEMBL29353518 0.87 RIPK1 (1.00) RIPK1RIPK2RIPK3ABL1CYP3A4
SCHEMBL21678896 0.87 RIPK1 (1.00) RIPK1RIPK2RIPK3ABL1CYP3A4
SCHEMBL16084957 0.87 RIPK1 (0.61) RIPK1RIPK2RIPK3ABL1
SCHEMBL16084985 0.86 RIPK1 (0.63) RIPK1RIPK2RIPK3ABL1CYP3A4

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
WO-2014145022-A1 HYBRID NECROPTOSIS INHIBITORS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2014-09-18 WO disclosed