SCHEMBL30880671

SCHEMBL30880671

COCC(C)Oc1cc(Nc2ccnc3ccc(Br)cc23)cc(OC)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAK O14976 12/20 0.57
RIPK2 O43353 7/20 0.57
COQ8A Q8NI60 7/20 0.57
NLK Q9UBE8 7/20 0.57
EPHB6 O15197 1/20 0.57
STK16 O75716 1/20 0.57
ABL1 P00519 1/20 0.57
ACVR1 Q04771 1/20 0.57
AAK1 Q2M2I8 1/20 0.57
EGFR P00533 1/20 0.44
ERBB2 P04626 1/20 0.42
PTK6 Q13882 1/20 0.42
SLC22A12 Q96S37 1/20 0.41
PDGFRB P09619 3/20 0.41
HTT P42858 1/20 0.41
HTR1A P08908 1/20 0.41
ADRA1D P25100 1/20 0.41
ADRA1A P35348 1/20 0.41
ADRA1B P35368 1/20 0.41
MAPT P10636 1/20 0.41

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
SCHEMBL30880525 0.89 GAK (0.58) GAKRIPK2COQ8ANLKEPHB6
SCHEMBL30880616 0.87 GAK (0.73) GAKRIPK2COQ8ANLKEPHB6
SCHEMBL30880591 0.83 GAK (0.59) GAKRIPK2COQ8ANLKEPHB6
SCHEMBL30880678 0.79 GAK (0.65) GAKRIPK2COQ8ANLKEPHB6
SCHEMBL2289246 0.79 GAK (0.65) GAKRIPK2COQ8ANLKEPHB6
Hydrochloric Acid SCHEMBL2291538 0.78 GAK (0.64) GAKRIPK2COQ8ANLKEPHB6
SCHEMBL2292717 0.78 GAK (0.60) GAKRIPK2COQ8ANLKEPHB6
SCHEMBL30880631 0.77 GAK (0.56) GAKRIPK2COQ8ANLKEPHB6
SCHEMBL30880508 0.75 GAK (0.59) GAKRIPK2COQ8ANLKEPHB6
SCHEMBL30880574 0.74 GAK (0.58) GAKRIPK2COQ8ANLKEPHB6

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
WO-2024078513-A1 CONDENSED AZINES FOR TREATING CANCER CHENGDU ANTICANCER BIOSCIENCE , LTD. (CN) 2024-04-18 WO disclosed