SCHEMBL29968115

SCHEMBL29968115

CCOC(=O)c1ccc2c(c1)NCC2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 3/20 0.51
MAPK1 P28482 2/20 0.51
PLK4 O00444 1/20 0.51
DAPK3 O43293 1/20 0.51
DYRK3 O43781 1/20 0.51
PRKD3 O94806 1/20 0.51
MAP4K4 O95819 1/20 0.51
PIM1 P11309 1/20 0.51
RPS6KB1 P23443 1/20 0.51
CDK2 P24941 1/20 0.51
KDR P35968 1/20 0.51
MAPK8 P45983 1/20 0.51
CLK2 P49760 1/20 0.51
GSK3B P49841 1/20 0.51
CDK5 Q00535 1/20 0.51
DYRK1A Q13627 1/20 0.51
PIM3 Q86V86 1/20 0.51
MINK1 Q8N4C8 1/20 0.51
AURKB Q96GD4 1/20 0.51
PBK Q96KB5 1/20 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
SCHEMBL3872066 1.00 JAK2 (0.51) JAK2MAPK1PLK4DAPK3DYRK3
Hydrochloric Acid SCHEMBL27081766 0.99 JAK2 (0.50) JAK2MAPK1PLK4DAPK3DYRK3
SCHEMBL3571275 0.86 RAB9A (0.57) MAPK1ALDH1A1ALOX15MAPTKDM4E
SCHEMBL1513343 0.86 JAK2 (0.55) JAK2JAK3POLBHPGD
SCHEMBL2898350 0.83 ALDH1A1 (0.47) ALDH1A1CA12CA1CA2CA7
SCHEMBL29906783 0.83 ALDH1A1 (0.47) ALDH1A1CA12CA1CA2CA7
SCHEMBL28447448 0.83 ACHE (0.39) JAK2MAPK1PLK4DAPK3DYRK3
Hydrochloric Acid SCHEMBL29940234 0.82 ALDH1A1 (0.46) ALDH1A1CA12CA1CA2CA7
Hydrochloric Acid SCHEMBL3102567 0.82 ALDH1A1 (0.46) ALDH1A1CA12CA1CA2CA7
SCHEMBL30782284 0.82 MAPK1 (0.57) JAK2MAPK1PLK4DAPK3DYRK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4313972-A1 INDOLINE DERIVATIVES AS DDRS INHIBITORS Chiesi Farmaceutici S.p.A. (IT) 2024-02-07 EP disclosed
WO-2022200577-A1 INDOLINE DERIVATIVES AS DDRS INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2022-09-29 WO disclosed