SCHEMBL29847922

SCHEMBL29847922

Nc1cccc(-c2cccc3cnc(Nc4ccc(N5CCNCC5)cc4)nc23)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 4/20 0.56
BRD4 O60885 3/20 0.56
PTK2 Q05397 1/20 0.54
JUN P05412 4/20 0.54
MAPK8 P45983 4/20 0.54
MAPK10 P53779 4/20 0.54
EGFR P00533 1/20 0.53
CDK4 P11802 5/20 0.52
CCND1 P24385 5/20 0.52
CDK2 P24941 5/20 0.52
CDK1 P06493 3/20 0.52
CCNB1 P14635 3/20 0.52
CCNE1 P24864 3/20 0.52
FGFR2 P21802 2/20 0.51
CCNA2 P20248 2/20 0.50
TTK P33981 1/20 0.49
JAK1 P23458 2/20 0.49
BRD2 P25440 2/20 0.49
JAK3 P52333 2/20 0.49
BRD3 Q15059 2/20 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
SCHEMBL16514760 1.00 JAK2 (0.56) JAK2BRD4PTK2JUNMAPK8
SCHEMBL16514799 0.89 JAK2 (0.66) JAK2BRD4PTK2JUNMAPK8
SCHEMBL16513553 0.89 JUN (0.66) JAK2BRD4PTK2JUNMAPK8
SCHEMBL16514469 0.89 WEE1 (0.48) JAK2BRD4PTK2JUNMAPK8
SCHEMBL29848219 0.89 WEE1 (0.48) JAK2BRD4PTK2JUNMAPK8
SCHEMBL16514362 0.88 JAK2 (0.70) JAK2BRD4JUNMAPK8MAPK10
SCHEMBL16514398 0.88 JAK2 (0.56) JAK2BRD4PTK2JUNMAPK8
SCHEMBL29846917 0.88 JAK2 (0.70) JAK2BRD4JUNMAPK8MAPK10
SCHEMBL29847770 0.88 JAK2 (0.56) JAK2BRD4PTK2JUNMAPK8
SCHEMBL29847708 0.88 JAK2 (0.56) JAK2BRD4PTK2JUNMAPK8

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