SCHEMBL22490293

SCHEMBL22490293

OCCc1c[nH]c2ncc(Br)cc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 2/20 0.51
PLK4 O00444 1/20 0.51
AURKA O14965 1/20 0.51
JAK2 O60674 1/20 0.51
ROCK2 O75116 1/20 0.51
PRKD3 O94806 1/20 0.51
MAP4K4 O95819 1/20 0.51
PRKCG P05129 1/20 0.51
INSR P06213 1/20 0.51
CDK1 P06493 1/20 0.51
FES P07332 1/20 0.51
IGF1R P08069 1/20 0.51
ROS1 P08922 1/20 0.51
FGFR1 P11362 1/20 0.51
PHKG2 P15735 1/20 0.51
FER P16591 1/20 0.51
FLT1 P17948 1/20 0.51
CDK2 P24941 1/20 0.51
MARK3 P27448 1/20 0.51
FLT4 P35916 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
SCHEMBL31635966 0.85 AURKA (0.49) DYRK1APLK4AURKAJAK2ROCK2
SCHEMBL8137957 0.84 HTR2A (0.54) DYRK1APLK4AURKAJAK2ROCK2
SCHEMBL21919961 0.81 JAK2 (0.51) JAK2FLT1KDRFLT3NTRK3
SCHEMBL22864675 0.80 PDPK1 (0.52) DYRK1APLK4AURKAJAK2ROCK2
SCHEMBL21618384 0.80 AURKA (0.50) DYRK1APLK4AURKAJAK2ROCK2
SCHEMBL26389859 0.80 DYRK1A (0.50) DYRK1APLK4AURKAJAK2ROCK2
SCHEMBL5335065 0.79 MTNR1A (0.70) MTNR1AMTNR1BCYP2D6ALDH1A1CYP3A4
SCHEMBL25303627 0.78 AURKA (0.49) DYRK1APLK4AURKAJAK2ROCK2
SCHEMBL21919959 0.78 MTNR1A (0.43) MTNR1AMTNR1BHTR2CCYP2D6NPC1
SCHEMBL1050599 0.78 MTNR1A (0.43) DYRK1APLK4AURKAJAK2ROCK2

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-3596075-B1 AZAINDOLES AS INHIBITORS OF HPK1 HOFFMANN LA ROCHE (CH) 2023-10-11 EP disclosed
WO-2020198053-A1 2-OXO-2,3-DIHYDRO-1H-IMIDAZO[4,5-B]PYRIDIN-6-YL)-4-METHYLBENZAMIDE DERIVATIVES AND SIMILAR COMPOUNDS AS RIPK2 INHIBITORS FOR TREATING E.G. AUTOIMMUNE DISEASES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2020-10-01 WO disclosed