SCHEMBL29686895

SCHEMBL29686895

Cc1ccc(CCCCN2C(=O)N[C@H](Cc3c[nH]c4c(Cl)cccc34)C2=O)cc1C#Cc1cnc2cccnn12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 5/20 1.00
RIPK2 O43353 1/20 1.00
RIPK3 Q9Y572 1/20 1.00
TNF P01375 5/20 0.46
ABL1 P00519 7/20 0.40
CYP3A4 P08684 4/20 0.38
KCNH2 Q12809 4/20 0.38
LCK P06239 2/20 0.37
SRC P12931 2/20 0.37
PDGFRA P16234 2/20 0.37
EPHB2 P29323 2/20 0.37
EPHB3 P54753 2/20 0.37
EPHB4 P54760 2/20 0.37
NEK6 Q9HC98 2/20 0.37
DDR2 Q16832 1/20 0.37
MAP4K3 Q8IVH8 1/20 0.37
ROR1 Q01973 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL16084942 1.00 RIPK1 (1.00) RIPK1RIPK2RIPK3TNFABL1
SCHEMBL29353518 1.00 RIPK1 (1.00) RIPK1RIPK2RIPK3TNFABL1
SCHEMBL21678896 1.00 RIPK1 (1.00) RIPK1RIPK2RIPK3TNFABL1
SCHEMBL17471690 0.99 RIPK1 (0.99) RIPK1RIPK2RIPK3TNFABL1
SCHEMBL17471719 0.99 RIPK1 (0.99) RIPK1RIPK2RIPK3TNFABL1
SCHEMBL16084958 0.96 RIPK1 (0.92) RIPK1RIPK2RIPK3TNFABL1
SCHEMBL16084944 0.95 RIPK1 (0.90) RIPK1RIPK2RIPK3TNFABL1
SCHEMBL16084949 0.88 RIPK1 (0.79) RIPK1RIPK2RIPK3TNFABL1
SCHEMBL16084948 0.88 RIPK1 (0.79) RIPK1RIPK2RIPK3TNFABL1
SCHEMBL16084950 0.88 RIPK1 (0.78) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3612223-B1 TREATING MALE SENESCENCE NAT INSTITUTE OF BIOLOGICAL SCIENCES BEIJING (CN) 2024-07-31 EP claimed
CN-110769853-B Treatment of male aging 北京生命科学研究所 2022-06-03 CN claimed
CN-117320754-A Prostatitis treatment 北京生命科学研究所 2023-12-29 CN disclosed
CN-110769853-B Treatment of male aging 北京生命科学研究所 2022-06-03 CN disclosed