SCHEMBL30880591

SCHEMBL30880591

COc1cc(Nc2ccnc3ccc(Br)cc23)cc(OCC(F)F)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAK O14976 13/20 0.59
RIPK2 O43353 9/20 0.59
COQ8A Q8NI60 9/20 0.59
NLK Q9UBE8 9/20 0.59
EPHB6 O15197 3/20 0.59
ABL1 P00519 3/20 0.59
ACVR1 Q04771 2/20 0.59
STK16 O75716 1/20 0.59
AAK1 Q2M2I8 1/20 0.59
EGFR P00533 2/20 0.46
ERBB2 P04626 1/20 0.44
PTK6 Q13882 1/20 0.44
LCK P06239 2/20 0.43
EPHA1 P21709 2/20 0.43
EPHA8 P29322 2/20 0.43
TXK P42681 1/20 0.43
SLC22A12 Q96S37 1/20 0.43
HTT P42858 1/20 0.42
HTR1A P08908 1/20 0.42
ADRA1D P25100 1/20 0.42

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
SCHEMBL30880616 0.89 GAK (0.73) GAKRIPK2COQ8ANLKEPHB6
SCHEMBL30880525 0.88 GAK (0.58) GAKRIPK2COQ8ANLKEPHB6
SCHEMBL30880671 0.83 GAK (0.57) GAKRIPK2COQ8ANLKEPHB6
SCHEMBL2289246 0.81 GAK (0.65) GAKRIPK2COQ8ANLKEPHB6
SCHEMBL30880678 0.81 GAK (0.65) GAKRIPK2COQ8ANLKEPHB6
SCHEMBL30880631 0.81 GAK (0.56) GAKRIPK2COQ8ANLKEPHB6
Hydrochloric Acid SCHEMBL2291538 0.80 GAK (0.64) GAKRIPK2COQ8ANLKEPHB6
SCHEMBL2292717 0.80 GAK (0.60) GAKRIPK2COQ8ANLKEPHB6
SCHEMBL30880489 0.77 GAK (0.53) GAKRIPK2COQ8ANLKEPHB6
SCHEMBL30880612 0.77 GAK (0.53) 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