SCHEMBL28343487

SCHEMBL28343487

COc1cc2c(Oc3ccc(N)cc3F)ncnc2cc1OCCN1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AXL P30530 2/20 0.51
FLT4 P35916 9/20 0.48
KDR P35968 9/20 0.48
PDGFRB P09619 2/20 0.48
TEK Q02763 2/20 0.48
AURKB Q96GD4 2/20 0.48
AURKA O14965 1/20 0.48
TRPA1 O75762 1/20 0.46
RAF1 P04049 5/20 0.46
BRAF P15056 5/20 0.46
FLT1 P17948 8/20 0.46
EGFR P00533 2/20 0.46
MET P08581 2/20 0.46
PLK4 O00444 1/20 0.46
GAK O14976 1/20 0.46
EPHB6 O15197 1/20 0.46
RIPK2 O43353 1/20 0.46
ERN1 O75460 1/20 0.46
STK10 O94804 1/20 0.46
MAP4K4 O95819 1/20 0.46

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
SCHEMBL28343529 0.90 FLT4 (0.53) FLT4KDRPDGFRBRAF1BRAF
SCHEMBL168388 0.85 AXL (0.71) AXLKDRPDGFRBAURKBAURKA
SCHEMBL664744 0.83 KDR (0.70) AXLFLT4KDRPDGFRBTEK
SCHEMBL29631712 0.83 AXL (0.71) AXLFLT4KDRPDGFRBTEK
SCHEMBL15084626 0.83 AXL (0.71) AXLFLT4KDRPDGFRBTEK
SCHEMBL15084518 0.82 KDR (0.67) AXLFLT4KDRPDGFRBTEK
SCHEMBL15084560 0.81 KDR (0.66) AXLFLT4KDRPDGFRBTEK
SCHEMBL15084515 0.81 KDR (0.66) AXLFLT4KDRPDGFRBTEK
SCHEMBL7005111 0.81 DRD3 (0.48)
SCHEMBL15084599 0.80 ABCB11 (0.67) AXLFLT4KDRPDGFRBTEK

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110520416-B Polysubstituted pyridone derivative, preparation method and medical application thereof 北京越之康泰生物医药科技有限公司 2022-06-03 CN disclosed
CN-110520416-A Polysubstituted pyridine ketones derivant, preparation method and its medical usage BEIJING YUEZHIKANGTAI BIOMEDICINES CO LTD 2019-11-29 CN disclosed