SCHEMBL29977282

SCHEMBL29977282

O=c1[nH]ncc2sc(-n3cnc(C4CC4)c3)cc12

nearest known ligand 0.37

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MAP3K5 Q99683 4/20 0.37
GRM5 P41594 4/20 0.32
GRM1 Q13255 2/20 0.31

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
SCHEMBL28899176 0.74 MAP3K5 (0.47) MAP3K5
SCHEMBL28391216 0.66 MAP3K5 (0.35) MAP3K5GRM5GRM1
SCHEMBL28388036 0.64 DAO (0.40) MAP3K5GRM5GRM1
SCHEMBL28987779 0.64 MAP3K5 (0.39) MAP3K5GRM5GRM1
SCHEMBL28394631 0.64 MAP3K5 (0.39) MAP3K5
SCHEMBL30238994 0.63 MAP3K5 (0.39) MAP3K5
SCHEMBL25236233 0.62 ALDH1A1 (0.39)
SCHEMBL28987786 0.62 GRM5 (0.43) MAP3K5GRM5GRM1
SCHEMBL22473968 0.60 MAP3K5 (0.46) MAP3K5
SCHEMBL28899189 0.60 IP6K1 (0.55) MAP3K5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115504986-B Apoptosis signal regulating kinase inhibitor and preparation method and application thereof 江苏豪森药业集团有限公司 2024-05-14 CN disclosed
CN-115504986-A Apoptosis signal regulating kinase inhibitor and preparation method and application thereof 江苏豪森药业集团有限公司 2022-12-23 CN disclosed
CN-111094250-B Apoptosis signal regulating kinase inhibitor and preparation method and application thereof 江苏豪森药业集团有限公司 2022-11-04 CN disclosed