SCHEMBL30880505

SCHEMBL30880505

COc1cc(N)cc(-c2cnn(C3COC3)c2)c1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KIT P10721 1/20 0.49
▸ LOXL2 Q9Y4K0 2/20 0.44
▸ LRRK2 Q5S007 2/20 0.43
▸ JAK2 O60674 2/20 0.42
▸ EIF4E P06730 1/20 0.41
▸ MKNK1 Q9BUB5 1/20 0.41
▸ MKNK2 Q9HBH9 1/20 0.41
▸ PIM1 P11309 1/20 0.41
▸ MAP4K3 Q8IVH8 2/20 0.39
▸ TTK P33981 1/20 0.38
▸ FGFR1 P11362 4/20 0.38
▸ FGFR2 P21802 4/20 0.38
▸ FGFR3 P22607 4/20 0.38
▸ BRD4 O60885 2/20 0.38
▸ CREBBP Q92793 1/20 0.38
▸ ABL1 P00519 1/20 0.37
▸ GRK2 P25098 1/20 0.36
▸ GRK5 P34947 1/20 0.36

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
SCHEMBL30880622 0.88 LOXL2 (0.53) LOXL2MAP4K3FGFR1FGFR2FGFR3
SCHEMBL25589668 0.76 MKNK1 (0.53) KITLRRK2JAK2EIF4EMKNK1
SCHEMBL15651199 0.71 LRRK2 (0.55) KITLRRK2JAK2EIF4EMKNK1
SCHEMBL2574462 0.70 KIT (0.48) KITLRRK2JAK2EIF4EMKNK1
SCHEMBL30839799 0.70 ALDH1A1 (0.50) KITABL1
SCHEMBL27185954 0.70 ALDH1A1 (0.50) KITABL1
SCHEMBL30880679 0.68 IKBKE (0.44) LOXL2JAK2FGFR1FGFR2FGFR3
SCHEMBL30880662 0.68 KIT (0.47) KITLOXL2FGFR1FGFR2FGFR3
SCHEMBL26598724 0.68 LRRK2 (0.46) KITLRRK2JAK2EIF4EMKNK1
SCHEMBL30880509 0.67 FGFR1 (0.49) KITLOXL2LRRK2MKNK2PIM1

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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