SCHEMBL30880508

SCHEMBL30880508

COc1cc(Nc2ccnc3ccc(Br)cc23)cc(N2CCCC2)c1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAK O14976 8/20 0.59
RIPK2 O43353 4/20 0.59
COQ8A Q8NI60 4/20 0.59
NLK Q9UBE8 4/20 0.59
EPHB6 O15197 1/20 0.59
STK16 O75716 1/20 0.59
ABL1 P00519 1/20 0.59
ACVR1 Q04771 1/20 0.59
AAK1 Q2M2I8 1/20 0.59
MAPKAPK2 P49137 6/20 0.52
EGFR P00533 1/20 0.46
APP P05067 1/20 0.45
ERBB2 P04626 1/20 0.44
PTK6 Q13882 1/20 0.44
SLC22A12 Q96S37 1/20 0.43

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
SCHEMBL30880574 0.99 GAK (0.58) GAKRIPK2COQ8ANLKEPHB6
SCHEMBL30880757 0.91 GAK (0.56) GAKRIPK2COQ8ANLKEPHB6
SCHEMBL30880616 0.86 GAK (0.73) GAKRIPK2COQ8ANLKEPHB6
SCHEMBL30880705 0.85 GAK (0.53) GAKRIPK2COQ8ANLKEPHB6
SCHEMBL30880620 0.81 GAK (0.57) GAKRIPK2COQ8ANLKEPHB6
SCHEMBL30880564 0.81 GAK (0.57) GAKRIPK2COQ8ANLKEPHB6
SCHEMBL30880678 0.81 GAK (0.65) GAKRIPK2COQ8ANLKEPHB6
SCHEMBL2289246 0.81 GAK (0.65) GAKRIPK2COQ8ANLKEPHB6
SCHEMBL30880511 0.81 GAK (0.56) GAKRIPK2COQ8ANLKEPHB6
SCHEMBL30880700 0.81 GAK (0.56) 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