SCHEMBL30880489

SCHEMBL30880489

COc1cc(Nc2ccnc3ccc(Br)cc23)cc(OCC2CCCO2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAK O14976 9/20 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
CNR2 P34972 6/20 0.43
EPHA2 P29317 1/20 0.41
KDR P35968 1/20 0.41
EGFR P00533 1/20 0.41
CNR1 P21554 3/20 0.40
ERBB2 P04626 1/20 0.39
PTK6 Q13882 1/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
PAK4 O96013 1/20 0.39

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
SCHEMBL30880746 0.89 GAK (0.53) GAKRIPK2COQ8ANLKCNR2
SCHEMBL30880522 0.89 GAK (0.53) GAKRIPK2COQ8ANLKEPHB6
SCHEMBL30880649 0.86 GAK (0.59) GAKRIPK2COQ8ANLKEPHB6
SCHEMBL30880612 0.83 GAK (0.53) GAKRIPK2COQ8ANLKEPHB6
SCHEMBL30880616 0.83 GAK (0.73) GAKRIPK2COQ8ANLKEPHB6
SCHEMBL30880651 0.80 GAK (0.55) GAKRIPK2COQ8ANLKEPHB6
SCHEMBL30880590 0.79 GAK (0.53) GAKRIPK2COQ8ANLKEPHB6
SCHEMBL30880591 0.77 GAK (0.59) GAKRIPK2COQ8ANLKEPHB6
SCHEMBL30880637 0.77 GAK (0.53) GAKRIPK2COQ8ANLKEPHB6
SCHEMBL30880525 0.77 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