SCHEMBL30880754

SCHEMBL30880754

COc1cc(Nc2ccnc3cc(OC)c(OC)cc23)cc(-c2ccccc2)c1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAK O14976 8/20 0.62
EGFR P00533 5/20 0.62
RIPK2 O43353 4/20 0.62
COQ8A Q8NI60 4/20 0.62
NLK Q9UBE8 4/20 0.62
SRC P12931 3/20 0.62
BMPR1B O00238 1/20 0.62
EPHB6 O15197 1/20 0.62
ABL1 P00519 1/20 0.62
LCK P06239 1/20 0.62
EPHA1 P21709 1/20 0.62
EPHA8 P29322 1/20 0.62
ACVR1 Q04771 1/20 0.62
MAP2K5 Q13163 1/20 0.62
FGFR2 P21802 3/20 0.57
PDGFRA P16234 1/20 0.56
KDR P35968 1/20 0.52
ALK Q9UM73 1/20 0.50
TGFBR1 P36897 1/20 0.49

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
SCHEMBL30880521 0.91 GAK (0.62) GAKEGFRRIPK2COQ8ANLK
SCHEMBL30880589 0.89 GAK (0.58) GAKEGFRRIPK2COQ8ANLK
SCHEMBL30880708 0.88 GAK (0.75) GAKEGFRRIPK2COQ8ANLK
SCHEMBL30880566 0.87 PDGFRA (0.51) GAKEGFRRIPK2COQ8ANLK
SCHEMBL30880747 0.85 GAK (0.59) GAKEGFRRIPK2COQ8ANLK
SCHEMBL30880647 0.85 GAK (0.59) GAKEGFRRIPK2COQ8ANLK
SCHEMBL30880585 0.84 GAK (0.61) GAKEGFRRIPK2COQ8ANLK
SCHEMBL30880463 0.84 GAK (0.58) GAKEGFRRIPK2COQ8ANLK
SCHEMBL8501712 0.84 EGFR (0.74) GAKEGFRRIPK2COQ8ANLK
SCHEMBL30880603 0.84 GAK (0.57) GAKEGFRRIPK2COQ8ANLK

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