SCHEMBL30362908

SCHEMBL30362908

O=C1NCCc2c(F)cc(-n3cnc(C4CC4)c3)cc21

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 12/20 0.38
GRM1 Q13255 8/20 0.38
MAP3K5 Q99683 6/20 0.36
PARP10 Q53GL7 1/20 0.36
PARP11 Q9NR21 1/20 0.36
DDB1 Q16531 1/20 0.36
CRBN Q96SW2 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
SCHEMBL28963840 1.00 GRM5 (0.38) GRM5GRM1MAP3K5PARP10PARP11
SCHEMBL23865256 0.79 MAP3K5 (0.46) MAP3K5PARP10PARP11DDB1CRBN
SCHEMBL21750535 0.79 MAP3K5 (0.38) GRM5GRM1MAP3K5DDB1CRBN
SCHEMBL28941273 0.79 PARP10 (0.40) GRM5GRM1MAP3K5PARP10PARP11
SCHEMBL30362996 0.79 PARP10 (0.40) GRM5GRM1MAP3K5PARP10PARP11
SCHEMBL20774424 0.72 MAP3K5 (0.46) MAP3K5DDB1CRBN
SCHEMBL22473965 0.72 PARP10 (0.41) GRM5GRM1MAP3K5PARP10PARP11
SCHEMBL28607413 0.72 MAP3K5 (0.38) GRM5GRM1MAP3K5PARP10PARP11
SCHEMBL20489212 0.71 MAP3K5 (0.49) MAP3K5PARP10PARP11
SCHEMBL29978642 0.71 MAP3K5 (0.49) MAP3K5PARP10PARP11

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
CN-110294742-B Fused ring ASK1 inhibitor and application thereof 山东轩竹医药科技有限公司 2023-01-31 CN disclosed