SCHEMBL25840969

SCHEMBL25840969

CC1(C)CCN(C(=O)C2(C#N)CC2)CC1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RET P07949 1/20 0.34
RORC P51449 2/20 0.33
KDM5A P29375 2/20 0.32
TLR9 Q9NR96 1/20 0.31
TLR8 Q9NR97 1/20 0.31
TLR7 Q9NYK1 1/20 0.31
GAA P10253 1/20 0.31
JAK2 O60674 1/20 0.30
JAK1 P23458 1/20 0.30
TYK2 P29597 1/20 0.30
JAK3 P52333 1/20 0.30
EPHX2 P34913 1/20 0.30

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
SCHEMBL16865194 0.86 RET (0.34) RETRORCTLR9TLR8TLR7
SCHEMBL18231651 0.82 HSD11B1 (0.39)
SCHEMBL16838106 0.81 HSD11B1 (0.44) RETEPHX2
SCHEMBL18855653 0.80 HSD11B1 (0.41) GAA
SCHEMBL18231698 0.79 SPR (0.39) RORCJAK2JAK1TYK2JAK3
SCHEMBL22875368 0.78 ALDH1A1 (0.42) RORCTLR9TLR8TLR7GAA
SCHEMBL3555062 0.77 RET (0.32) RETTLR9TLR8TLR7JAK2
SCHEMBL20084013 0.77 HSD11B1 (0.32) RET
SCHEMBL31732922 0.77 GAA (0.46) RORCGAA
SCHEMBL15076722 0.77 HSD11B1 (0.44) TLR9TLR8TLR7EPHX2

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-2023116763-A1 PYRIDAZINE COMPOUND, AND PHARMACEUTICAL COMPOSITION AND USE THEREOF 上海优理惠生医药有限公司 2023-06-29 WO disclosed