SCHEMBL30880705

SCHEMBL30880705

COc1cc(Nc2ccnc3ccc(Br)cc23)cc(N2CCNC(=O)C2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAK O14976 10/20 0.53
RIPK2 O43353 5/20 0.53
COQ8A Q8NI60 5/20 0.53
NLK Q9UBE8 5/20 0.53
EPHB6 O15197 1/20 0.53
STK16 O75716 1/20 0.53
ABL1 P00519 1/20 0.53
ACVR1 Q04771 1/20 0.53
AAK1 Q2M2I8 1/20 0.53
MAPKAPK2 P49137 3/20 0.44
ERBB2 P04626 1/20 0.43
PTK6 Q13882 1/20 0.43
NCF1 P14598 2/20 0.42
EGFR P00533 1/20 0.41
SLC22A12 Q96S37 1/20 0.40
APP P05067 1/20 0.39
LRRK2 Q5S007 1/20 0.38
CDK2 P24941 1/20 0.38
FLT3 P36888 1/20 0.38
CCNA1 P78396 1/20 0.38

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
SCHEMBL30880687 0.90 GAK (0.52) GAKRIPK2COQ8ANLKEPHB6
SCHEMBL30880506 0.90 GAK (0.52) GAKRIPK2COQ8ANLKEPHB6
SCHEMBL30880556 0.87 GAK (0.45) GAKRIPK2COQ8ANLKEPHB6
SCHEMBL30880508 0.85 GAK (0.59) GAKRIPK2COQ8ANLKEPHB6
SCHEMBL30880574 0.84 GAK (0.58) GAKRIPK2COQ8ANLKEPHB6
SCHEMBL30880757 0.83 GAK (0.56) GAKRIPK2COQ8ANLKEPHB6
SCHEMBL30880616 0.81 GAK (0.73) GAKRIPK2COQ8ANLKEPHB6
SCHEMBL30880511 0.77 GAK (0.56) GAKRIPK2COQ8ANLKEPHB6
SCHEMBL30880564 0.76 GAK (0.57) GAKRIPK2COQ8ANLKEPHB6
SCHEMBL30880620 0.76 GAK (0.57) 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