SCHEMBL29847741

SCHEMBL29847741

Nc1ccnc(-c2cccc3cnc(Nc4ccc(N5CCOCC5)cc4)nc23)c1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 3/20 0.61
PLK4 O00444 5/20 0.55
JUN P05412 5/20 0.55
MAPK8 P45983 5/20 0.55
MAPK10 P53779 5/20 0.55
TTK P33981 1/20 0.51
SYK P43405 1/20 0.50
IGF1R P08069 2/20 0.49
CDK1 P06493 2/20 0.49
CDK4 P11802 2/20 0.49
CCNB1 P14635 2/20 0.49
CCND1 P24385 2/20 0.49
CCNE1 P24864 2/20 0.49
CDK2 P24941 2/20 0.49
JAK3 P52333 1/20 0.49
PKMYT1 Q99640 1/20 0.49

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
SCHEMBL16514866 1.00 JAK2 (0.61) JAK2PLK4JUNMAPK8MAPK10
SCHEMBL29847068 0.90 JAK2 (0.48) JAK2PLK4JUNMAPK8MAPK10
SCHEMBL16514279 0.90 JAK2 (0.48) JAK2PLK4JUNMAPK8MAPK10
SCHEMBL16513407 0.90 BRD4 (0.59) JAK2CDK4CCND1CDK2JAK3
SCHEMBL16514324 0.90 CDK2 (0.50) JAK2PLK4JUNMAPK8MAPK10
SCHEMBL29847654 0.90 CDK2 (0.50) JAK2PLK4JUNMAPK8MAPK10
SCHEMBL29848216 0.90 BRD4 (0.59) JAK2CDK4CCND1CDK2JAK3
SCHEMBL16515714 0.87 JAK2 (0.51) JAK2JUNMAPK8MAPK10CDK4
SCHEMBL16514799 0.86 JAK2 (0.66) JAK2PLK4JUNMAPK8MAPK10
SCHEMBL29847962 0.86 MAPK10 (0.61) JAK2PLK4JUNMAPK8MAPK10

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-109851617-B Chemical entities, compositions, and methods 润新生物公司 2022-08-16 CN disclosed