SCHEMBL30880458

SCHEMBL30880458

COc1cc(Nc2ccnc3cc(OC)ccc23)cc(-n2ccnc2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAK O14976 10/20 0.58
RIPK2 O43353 4/20 0.58
COQ8A Q8NI60 4/20 0.58
NLK Q9UBE8 4/20 0.58
HTR1A P08908 2/20 0.50
ADRA1D P25100 2/20 0.50
ADRA1A P35348 2/20 0.50
ADRA1B P35368 2/20 0.50
HTT P42858 1/20 0.48
CYP11B1 P15538 1/20 0.48
CYP11B2 P19099 1/20 0.48
FERMT2 Q96AC1 1/20 0.46
PDGFRA P16234 1/20 0.43
EGFR P00533 2/20 0.43
TGFBR1 P36897 1/20 0.43
BMPR1B O00238 1/20 0.42
EPHB6 O15197 1/20 0.42
ABL1 P00519 1/20 0.42
LCK P06239 1/20 0.42
SRC P12931 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
SCHEMBL30880617 0.92 GAK (0.58) GAKRIPK2COQ8ANLKHTT
SCHEMBL30880707 0.91 GAK (0.58) GAKRIPK2COQ8ANLKHTR1A
SCHEMBL30880628 0.91 GAK (0.57) GAKRIPK2COQ8ANLKHTR1A
SCHEMBL30880581 0.91 GAK (0.57) GAKRIPK2COQ8ANLKHTR1A
SCHEMBL30880666 0.89 HTT (0.60) GAKRIPK2COQ8ANLKHTT
SCHEMBL30880661 0.88 EGFR (0.59) GAKRIPK2COQ8ANLKPDGFRA
SCHEMBL30880519 0.88 GAK (0.59) GAKRIPK2COQ8ANLKHTT
SCHEMBL30880577 0.85 GAK (0.56) GAKRIPK2COQ8ANLKHTR1A
SCHEMBL30880531 0.85 GAK (0.58) GAKRIPK2COQ8ANLKHTT
SCHEMBL30880564 0.84 GAK (0.57) GAKRIPK2COQ8ANLKHTT

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