SCHEMBL29182955

SCHEMBL29182955

COc1cc2c(Oc3ccc(N(C(=O)C4CC4)c4ccc(F)cc4)cc3F)ccnc2cc1OCCCBr

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MET P08581 16/20 0.54
▸ AXL P30530 7/20 0.51
▸ KDR P35968 4/20 0.51
▸ PDGFRB P09619 3/20 0.51
▸ KIT P10721 3/20 0.51
▸ FLT3 P36888 3/20 0.51
▸ HDAC2 Q92769 2/20 0.51
▸ HDAC8 Q9BY41 2/20 0.51
▸ HDAC6 Q9UBN7 2/20 0.51
▸ RET P07949 2/20 0.51
▸ HDAC10 Q969S8 1/20 0.49
▸ HDAC11 Q96DB2 1/20 0.49
▸ PDGFRA P16234 2/20 0.48
▸ FLT1 P17948 2/20 0.48
▸ MST1R Q04912 2/20 0.48
▸ PLK4 O00444 1/20 0.48
▸ STK25 O00506 1/20 0.48
▸ CIT O14578 1/20 0.48
▸ AURKA O14965 1/20 0.48
▸ CHUK O15111 1/20 0.48

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
SCHEMBL28678364 0.85 MET (0.55) METAXLKDRPDGFRBKIT
SCHEMBL3911157 0.80 MET (0.51) METAXLKDRKITFLT3
Hydrochloric Acid SCHEMBL15917934 0.78 MET (0.56) METAXLKDRPDGFRBKIT
Hydrochloric Acid SCHEMBL15917992 0.78 MET (0.56) METAXLKDRPDGFRBKIT
Hydrochloric Acid SCHEMBL15918148 0.78 MET (0.56) METAXLKDRPDGFRBKIT
SCHEMBL28676846 0.78 MET (0.57) METAXLKDRPDGFRBKIT
SCHEMBL28686931 0.77 HDAC2 (0.57) METAXLKDRPDGFRBKIT
SCHEMBL372084 0.77 MET (0.53) METAXLKDRPDGFRBKIT
SCHEMBL372182 0.77 MET (0.53) METAXLKDRPDGFRBKIT
SCHEMBL372228 0.77 MET (0.52) METAXLKDRPDGFRBKIT

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-113924288-B Quinolinyl-containing compound, pharmaceutical composition and application thereof 北京普祺医药科技股份有限公司 2024-04-05 — — CN disclosed
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