SCHEMBL5642412

SCHEMBL5642412

Cc1c(C(=O)O)c(C)n(C(C(O)C(N)=O)N2CCOCC2)c1C=C1C(=O)Nc2ccc(Br)cc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ KDR P35968 8/20 0.40
▸ FLT1 P17948 2/20 0.40
▸ PDGFRB P09619 8/20 0.40
▸ FGFR1 P11362 4/20 0.40
▸ LRRK2 Q5S007 2/20 0.38
▸ KIT P10721 3/20 0.38
▸ TLK2 Q86UE8 2/20 0.38
▸ RIOK2 Q9BVS4 2/20 0.38
▸ TLK1 Q9UKI8 2/20 0.38
▸ RET P07949 2/20 0.38
▸ ALK Q9UM73 2/20 0.38
▸ PLK4 O00444 2/20 0.38
▸ RPS6KA3 P51812 2/20 0.38
▸ BMPR1B O00238 1/20 0.38
▸ STK25 O00506 1/20 0.38
▸ CIT O14578 1/20 0.38
▸ RIOK3 O14730 1/20 0.38
▸ CHEK1 O14757 1/20 0.38

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
SCHEMBL6722350 0.91 KDR (0.51) KDRFLT1PDGFRBFGFR1LRRK2
SCHEMBL6734453 0.91 LRRK2 (0.41) KDRFLT1PDGFRBFGFR1LRRK2
SCHEMBL5640837 0.89 PDGFRB (0.43) MEN1KMT2AKDRFLT1PDGFRB
SCHEMBL5639627 0.83 MEN1 (0.42) MEN1KMT2AKDRPDGFRBFGFR1
SCHEMBL2117957 0.82 MEN1 (0.46) MEN1KMT2AKDRPDGFRBFGFR1
SCHEMBL2113633 0.81 MEN1 (0.41) MEN1KMT2AKDRFLT1PDGFRB
SCHEMBL6727036 0.80 KDR (0.53) MEN1KMT2AKDRFLT1PDGFRB
SCHEMBL2115891 0.79 MEN1 (0.48) MEN1KMT2AKDRPDGFRBFGFR1
SCHEMBL2118661 0.77 KDR (0.41) MEN1KMT2AKDRFLT1PDGFRB
SCHEMBL2116963 0.77 PDGFRB (0.46) MEN1KMT2AKDRPDGFRBFGFR1

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
US-7179910-B2 3-(4-amidopyrrol-2-ylmethlidene)-2-indolinone derivatives as protein kinase inhibitors AGOURON PHARMACEUTICALS, INC. (US) 2007-02-20 — — US disclosed
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