SCHEMBL5639627

SCHEMBL5639627

Cc1c(C(=O)O)c(C)n(C(C(O)C(N)=O)n2ccnn2)c1C=C1C(=O)Nc2ccc(Br)cc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ PDGFRB P09619 4/20 0.40
▸ KDR P35968 4/20 0.40
▸ FGFR1 P11362 3/20 0.40
▸ RET P07949 1/20 0.38
▸ CCNB2 O95067 2/20 0.38
▸ CDK1 P06493 2/20 0.38
▸ CCNB1 P14635 2/20 0.38
▸ CCNB3 Q8WWL7 2/20 0.38
▸ ALK Q9UM73 1/20 0.37
▸ HSP90AA1 P07900 2/20 0.37
▸ PLK4 O00444 2/20 0.37
▸ CCR6 P51684 1/20 0.37
▸ EGFR P00533 1/20 0.36
▸ MAP1LC3B Q9GZQ8 1/20 0.36
▸ TGM2 P21980 1/20 0.36
▸ RPS6KA3 P51812 1/20 0.35
▸ AKT2 P31751 1/20 0.35
▸ PLK1 P53350 1/20 0.35

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
SCHEMBL5520438 0.89 PIM1 (0.39) KMT2APDGFRBKDRFGFR1RET
SCHEMBL5642412 0.83 MEN1 (0.42) MEN1KMT2APDGFRBKDRFGFR1
SCHEMBL2115891 0.80 MEN1 (0.48) MEN1KMT2APDGFRBKDRFGFR1
SCHEMBL2117957 0.78 MEN1 (0.46) MEN1KMT2APDGFRBKDRFGFR1
SCHEMBL2116963 0.78 PDGFRB (0.46) MEN1KMT2APDGFRBKDRFGFR1
SCHEMBL2112008 0.77 PDGFRB (0.42) MEN1KMT2APDGFRBKDRFGFR1
SCHEMBL2116323 0.75 KDR (0.45) MEN1KMT2APDGFRBKDRFGFR1
SCHEMBL6722350 0.74 KDR (0.51) PDGFRBKDRFGFR1RETALK
SCHEMBL6734453 0.74 LRRK2 (0.41) PDGFRBKDRFGFR1RETALK
SCHEMBL5641003 0.72 LRRK2 (0.41) PDGFRBKDRRETALKEGFR

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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