SCHEMBL30880640

SCHEMBL30880640

CNC(=O)COc1cc(Nc2ccnc3cc(OC)c(OC)cc23)cc(OC)c1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDGFRA P16234 5/20 0.60
GAK O14976 7/20 0.57
EGFR P00533 5/20 0.57
RIPK2 O43353 3/20 0.57
COQ8A Q8NI60 3/20 0.57
NLK Q9UBE8 3/20 0.57
SRC P12931 3/20 0.57
LCK P06239 2/20 0.57
BMPR1B O00238 1/20 0.57
EPHB6 O15197 1/20 0.57
ABL1 P00519 1/20 0.57
EPHA1 P21709 1/20 0.57
EPHA8 P29322 1/20 0.57
ACVR1 Q04771 1/20 0.57
MAP2K5 Q13163 1/20 0.57
KDR P35968 4/20 0.47
FGFR2 P21802 1/20 0.44

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
SCHEMBL30880473 0.86 GAK (0.56) PDGFRAGAKRIPK2COQ8ANLK
SCHEMBL30880631 0.86 GAK (0.56) PDGFRAGAKEGFRRIPK2COQ8A
SCHEMBL30880708 0.85 GAK (0.75) PDGFRAGAKEGFRRIPK2COQ8A
SCHEMBL30880541 0.78 GAK (0.72) PDGFRAGAKEGFRRIPK2COQ8A
SCHEMBL30880699 0.76 GAK (0.53) PDGFRAGAKEGFRRIPK2COQ8A
SCHEMBL30880754 0.75 GAK (0.62) PDGFRAGAKEGFRRIPK2COQ8A
SCHEMBL31067639 0.75 PDGFRA (1.00) PDGFRAGAKEGFRRIPK2COQ8A
SCHEMBL30880521 0.75 GAK (0.62) PDGFRAGAKEGFRRIPK2COQ8A
SCHEMBL30880652 0.75 PDGFRA (0.49) PDGFRAGAKEGFRRIPK2COQ8A
SCHEMBL17676467 0.74 ALDH1A1 (0.49)

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