SCHEMBL30173664

SCHEMBL30173664

N#Cc1cncc([C@@H]2CC=NN2C(=O)N2CCN(c3nccc(C(N)=O)n3)CC2)c1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 10/20 0.41
HTR1A P08908 2/20 0.41
SLC6A7 Q99884 2/20 0.36
AOC3 Q16853 1/20 0.35
PARP1 P09874 2/20 0.35
PANK3 Q9H999 1/20 0.34
KDR P35968 1/20 0.34
FPR2 P25090 1/20 0.34

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
SCHEMBL24056629 1.00 RIPK1 (0.41) RIPK1HTR1ASLC6A7AOC3PARP1
SCHEMBL25274823 1.00 RIPK1 (0.41) RIPK1HTR1ASLC6A7AOC3PARP1
SCHEMBL25274375 0.87 RIPK1 (0.50) RIPK1HTR1ASLC6A7AOC3PARP1
SCHEMBL24055263 0.87 RIPK1 (0.50) RIPK1HTR1ASLC6A7AOC3PARP1
SCHEMBL24055272 0.84 HTR1A (0.40) RIPK1HTR1ASLC6A7AOC3PARP1
SCHEMBL24054009 0.84 RIPK1 (0.38) RIPK1SLC6A7AOC3PANK3KDR
SCHEMBL25274382 0.84 RIPK1 (0.38) RIPK1SLC6A7AOC3PANK3KDR
SCHEMBL24055271 0.81 RIPK1 (0.55) RIPK1
SCHEMBL25285447 0.81 RIPK1 (0.55) RIPK1
SCHEMBL25240594 0.81 RIPK1 (0.50) RIPK1HTR1AFPR2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115697972-B Receptor-interacting protein 1 inhibitors including piperazine heterocyclic amide urea 维泰瑞隆有限公司 2024-11-22 CN disclosed
CN-115697972-A Receptor-interacting protein 1 inhibitors comprising piperazine heterocyclic amide ureas 维泰瑞隆有限公司 2023-02-03 CN disclosed