SCHEMBL4963329

SCHEMBL4963329

CO/N=C/c1c([AsH2])ncnc1N1CCC(NC(=O)Nc2ccc(OC3CCCC3)nc2)C1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ FLT3 P36888 12/20 0.60
▸ AKT1 P31749 1/20 0.42
▸ PAK1 Q13153 2/20 0.40
▸ CA12 O43570 2/20 0.37
▸ CA1 P00915 2/20 0.37
▸ CA2 P00918 2/20 0.37
▸ CA4 P22748 2/20 0.37
▸ CA7 P43166 2/20 0.37
▸ CA9 Q16790 2/20 0.37
▸ CNR1 P21554 1/20 0.37
▸ CCNC P24863 2/20 0.37
▸ CDK8 P49336 2/20 0.37
▸ PDGFRB P09619 1/20 0.36
▸ KIT P10721 1/20 0.36

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
SCHEMBL4963331 1.00 FLT3 (0.60) FLT3AKT1PAK1CA12CA1
SCHEMBL4959852 0.91 FLT3 (0.73) FLT3AKT1PAK1CA12CA1
SCHEMBL4959842 0.91 FLT3 (0.73) FLT3AKT1PAK1CA12CA1
SCHEMBL4960975 0.90 FLT3 (0.73) FLT3AKT1PAK1CA12CA1
SCHEMBL5921852 0.86 FLT3 (0.78) FLT3PAK1PDGFRBKIT
SCHEMBL5921851 0.86 FLT3 (0.78) FLT3PAK1PDGFRBKIT
SCHEMBL4960587 0.85 FLT3 (0.78) FLT3PAK1PDGFRBKIT
SCHEMBL4968133 0.79 PDE10A (0.56) KIT
SCHEMBL4966365 0.77 PDE10A (0.56) KIT
SCHEMBL4959947 0.75 FLT3 (0.72) FLT3AKT1PAK1PDGFRBKIT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1896029-A1 AMINOPYRIMIDINES AS KINASE MODULATORS Janssen Pharmaceutica, N.V. (BE) 2008-03-12 — — EP disclosed
WO-2006135644-A1 AMINOPYRIMIDINES AS KINASE MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2006-12-21 — — WO disclosed
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