SCHEMBL30880672

SCHEMBL30880672

COc1cc(Nc2ccnc3ccc(-c4cnn(C)c4)cc23)cc(OC)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALK Q9UM73 2/20 0.60
▸ FGFR3 P22607 2/20 0.54
▸ KDR P35968 1/20 0.54
▸ MAPKAPK2 P49137 6/20 0.53
▸ TGFBR1 P36897 1/20 0.52
▸ GAK O14976 3/20 0.50
▸ RIPK2 O43353 1/20 0.50
▸ COQ8A Q8NI60 1/20 0.50
▸ NLK Q9UBE8 1/20 0.50
▸ EGFR P00533 1/20 0.48
▸ ERBB2 P04626 1/20 0.48
▸ ERBB4 Q15303 1/20 0.48
▸ RAF1 P04049 2/20 0.47
▸ BRAF P15056 2/20 0.47
▸ ACVR1 Q04771 1/20 0.46
▸ MET P08581 1/20 0.46
▸ TTK P33981 1/20 0.46
▸ FGFR1 P11362 1/20 0.45
▸ FGFR2 P21802 1/20 0.45
▸ FGFR4 P22455 1/20 0.45

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
SCHEMBL30880485 0.84 GAK (0.56) ALKFGFR3KDRTGFBR1GAK
SCHEMBL30880471 0.77 SYK (0.47) ALKGAKRIPK2COQ8ANLK
SCHEMBL30880616 0.75 GAK (0.73) ALKGAKRIPK2COQ8ANLK
SCHEMBL30880613 0.75 GAK (0.73) KDRGAKRIPK2COQ8ANLK
SCHEMBL30880500 0.75 ALK (0.56) ALKMAPKAPK2GAKRIPK2COQ8A
SCHEMBL30880716 0.75 ALK (0.56) ALKMAPKAPK2GAKRIPK2COQ8A
SCHEMBL30880611 0.75 ALK (0.56) ALKMAPKAPK2GAKRIPK2COQ8A
SCHEMBL30880598 0.75 GAK (0.51) FGFR3KDRMAPKAPK2TGFBR1GAK
SCHEMBL30880608 0.74 GAK (0.50) KDRMAPKAPK2TGFBR1GAKRIPK2
SCHEMBL30880668 0.74 GAK (0.50) MAPKAPK2TGFBR1GAKRIPK2COQ8A

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
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