SCHEMBL5641003

SCHEMBL5641003

Cc1c(C(=O)O)c(C)n(C(C(O)C(N)=O)N2NN(O)c3ccccc32)c1C=C1C(=O)Nc2ccc(Cl)cc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 5/20 0.41
▸ ZAP70 P43403 1/20 0.38
▸ IDO1 P14902 1/20 0.37
▸ TDO2 P48775 1/20 0.37
▸ TGM2 P21980 1/20 0.37
▸ PDGFRB P09619 2/20 0.37
▸ EGFR P00533 1/20 0.37
▸ ERBB2 P04626 1/20 0.37
▸ FLT4 P35916 1/20 0.36
▸ KDR P35968 1/20 0.36
▸ FLT3 P36888 1/20 0.36
▸ RET P07949 1/20 0.36
▸ PSEN1 P49768 2/20 0.36
▸ PSEN2 P49810 2/20 0.36
▸ APH1B Q8WW43 2/20 0.36
▸ NCSTN Q92542 2/20 0.36
▸ APH1A Q96BI3 2/20 0.36
▸ PSENEN Q9NZ42 2/20 0.36
▸ ALK Q9UM73 1/20 0.35
▸ RPS6KA3 P51812 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
SCHEMBL5642726 0.91 ALK (0.46) LRRK2PDGFRBEGFRFLT4KDR
SCHEMBL6734453 0.81 LRRK2 (0.41) LRRK2ZAP70IDO1TDO2TGM2
SCHEMBL2113945 0.77 LRRK2 (0.45) LRRK2ZAP70IDO1TDO2TGM2
SCHEMBL5520438 0.73 PIM1 (0.39) ZAP70TGM2PDGFRBFLT4KDR
SCHEMBL5640837 0.73 PDGFRB (0.43) ZAP70PDGFRBERBB2FLT4KDR
SCHEMBL5639627 0.72 MEN1 (0.42) TGM2PDGFRBEGFRKDRRET
SCHEMBL5642508 0.72 MDM2 (0.36) LRRK2ZAP70IDO1TDO2TGM2
SCHEMBL5642412 0.72 MEN1 (0.42) LRRK2PDGFRBEGFRFLT4KDR
SCHEMBL6722350 0.72 KDR (0.51) LRRK2PDGFRBEGFRFLT4KDR
SCHEMBL5518078 0.69 ALK (0.50) LRRK2PDGFRBEGFRFLT4KDR

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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