SCHEMBL30438261

SCHEMBL30438261

OC1CCC(Nc2nccc(-c3ncccn3)n2)CC1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RET P07949 3/20 0.64
MAPK8 P45983 13/20 0.60
MAPK9 P45984 12/20 0.60
MAPK10 P53779 10/20 0.60
GSK3B P49841 4/20 0.55
CDK2 P24941 3/20 0.55
MAPK13 O15264 2/20 0.55
MAPKAPK2 P49137 2/20 0.55
MAPK12 P53778 2/20 0.55
MAP2K7 O14733 1/20 0.55
IKBKB O14920 1/20 0.55
MAP2K4 P45985 1/20 0.55
MAP2K6 P52564 1/20 0.55
MAPK14 Q16539 1/20 0.55
PIK3CD O00329 1/20 0.52
PIK3CA P42336 1/20 0.52
PIK3CG P48736 1/20 0.52
PIK3C3 Q8NEB9 1/20 0.52
PI4KB Q9UBF8 1/20 0.52
MKNK2 Q9HBH9 3/20 0.51

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
SCHEMBL25198290 0.87 MAPK8 (0.54) RETMAPK8MAPK9MAPK10GSK3B
SCHEMBL30356758 0.87 MAPK8 (0.54) RETMAPK8MAPK9MAPK10GSK3B
SCHEMBL26813998 0.81 KDM4E (0.64) RETMAPK8MAPK9MAPK10GSK3B
SCHEMBL17730228 0.81 KDM4E (0.64) RETMAPK8MAPK9MAPK10GSK3B
SCHEMBL17730226 0.81 KDM4E (0.64) RETMAPK8MAPK9MAPK10GSK3B
SCHEMBL3769935 0.79 RET (1.00) RETMAPK8MAPK9MAPK10GSK3B
SCHEMBL3769946 0.79 RET (1.00) RETMAPK8MAPK9MAPK10GSK3B
SCHEMBL3776172 0.76 CCNB2 (0.80) RETMAPK8MAPK9MAPK10GSK3B
SCHEMBL3776164 0.76 CCNB2 (0.80) RETMAPK8MAPK9MAPK10GSK3B
SCHEMBL8233929 0.76 RET (0.56) RETMAPK8MAPK9MAPK10GSK3B

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-116209658-A Inhibitors of RHO-associated coiled coil kinase 安吉昂生物医药公司 2023-06-02 CN disclosed