SCHEMBL30702349

SCHEMBL30702349

CNC(=O)c1cc(OC)ccc1Oc1ccnc2ccc(Br)cc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MET P08581 2/20 0.50
▸ KDR P35968 2/20 0.50
▸ DDR2 Q16832 1/20 0.50
▸ AURKA O14965 1/20 0.50
▸ LCK P06239 1/20 0.50
▸ TEK Q02763 1/20 0.50
▸ AURKB Q96GD4 1/20 0.50
▸ AXL P30530 3/20 0.47
▸ LMNA P02545 1/20 0.46
▸ KDM4E B2RXH2 3/20 0.46
▸ MAPT P10636 1/20 0.46
▸ NPC1 O15118 1/20 0.45
▸ NCOA1 Q15788 1/20 0.45
▸ NCOA3 Q9Y6Q9 1/20 0.45
▸ SRC P12931 4/20 0.44
▸ TGFBR1 P36897 4/20 0.44
▸ PDGFRA P16234 2/20 0.43
▸ EGFR P00533 2/20 0.43
▸ TSHR P16473 1/20 0.42
▸ HTT P42858 1/20 0.42

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
SCHEMBL30702371 0.86 KDR (0.56) METKDRDDR2AURKALCK
SCHEMBL3899101 0.86 KDR (0.66) METKDRAURKALCKTEK
SCHEMBL30702343 0.83 SCN8A (0.41) METKDRAURKALCKTEK
SCHEMBL30051204 0.82 DDR2 (0.56) METKDRDDR2AURKALCK
SCHEMBL29186585 0.82 DDR2 (0.56) METKDRDDR2AURKALCK
SCHEMBL18412897 0.76 SLC22A12 (0.50) LMNAKDM4EMAPTTSHRHTT
SCHEMBL3892890 0.75 KDR (0.67) METKDRAURKALCKTEK
SCHEMBL3894634 0.75 SRC (0.64) METKDRLMNASRCTGFBR1
SCHEMBL30050441 0.75 EGFR (0.58) KDRDDR2NPC1NCOA1NCOA3
SCHEMBL27159593 0.75 EGFR (0.58) KDRDDR2NPC1NCOA1NCOA3

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
CN-117321036-A phenyl-O-quinoline, quinazoline, thienopyridine, thienopyrimidine, pyrrolopyridine, pyrrolopyrimidine compounds having anticancer activity 成都安泰康赛生物科技有限公司 2023-12-29 — — CN disclosed
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