SCHEMBL28720336

SCHEMBL28720336

O=C(O)c1ccc2c([nH]c3cc(Br)cnc32)c1Cl

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 2/20 0.38
SORT1 Q99523 1/20 0.35
HAVCR2 Q8TDQ0 1/20 0.34
DYRK1B Q9Y463 2/20 0.33
DYRK1A Q13627 2/20 0.33
AURKA O14965 1/20 0.33
DAPK3 O43293 1/20 0.33
JAK2 O60674 1/20 0.33
PRKD3 O94806 1/20 0.33
MAP4K4 O95819 1/20 0.33
PAK4 O96013 1/20 0.33
ABL1 P00519 1/20 0.33
NTRK1 P04629 1/20 0.33
FYN P06241 1/20 0.33
RET P07949 1/20 0.33
MET P08581 1/20 0.33
PDGFRB P09619 1/20 0.33
PIM1 P11309 1/20 0.33
FGFR1 P11362 1/20 0.33
PDGFRA P16234 1/20 0.33

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
SCHEMBL16861845 0.85 NR4A2 (0.39) DYRK1AABL1PIM1ALDH1A1KDM4E
SCHEMBL16861761 0.74 NR4A2 (0.40) DYRK1APIM1ALDH1A1KDM4E
SCHEMBL17841023 0.73 NR4A2 (0.39) DYRK1APIM1ALDH1A1KDM4E
SCHEMBL28723961 0.73 CSNK2A1 (0.47) DYRK1BDYRK1AFGFR1FLT1KDR
SCHEMBL16861659 0.73 DYRK1A (0.36) DYRK1BDYRK1AAURKADAPK3JAK2
SCHEMBL18224508 0.72 DYRK1A (0.46) DYRK1BDYRK1AAURKADAPK3JAK2
SCHEMBL16861810 0.72 PARP1 (0.43) DHODHDYRK1BDYRK1AAURKADAPK3
SCHEMBL31661343 0.70 GABRP (0.35) HAVCR2DYRK1APRKAA1KDM4CKDM5A
SCHEMBL20164978 0.70 GPR17 (0.43) DHODHSORT1JAK2CDK9CDK5
SCHEMBL16861621 0.69 GABRP (0.51) DYRK1BDYRK1AAURKADAPK3JAK2

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-108558871-B Tricyclic compounds as anticancer agents 百时美施贵宝公司 2022-02-18 CN disclosed