SCHEMBL3536349

SCHEMBL3536349

CC(=O)N1CCc2nc(NC(=O)c3cccc4ccccc34)ncc2C1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 2/20 0.59
TMPRSS2 O15393 1/20 0.50
PDGFRB P09619 7/20 0.47
GAA P10253 1/20 0.46
KDR P35968 7/20 0.43
LMNA P02545 1/20 0.42
POLB P06746 1/20 0.42
NOTUM Q6P988 1/20 0.41
HSP90AA1 P07900 1/20 0.41
OGA O60502 1/20 0.41
KDM4E B2RXH2 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41

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
SCHEMBL3528207 0.81 ENPP2 (0.43) ENPP2TMPRSS2PDGFRBKDRHSP90AA1
SCHEMBL3528455 0.80 POLB (0.41) ENPP2TMPRSS2PDGFRBGAAKDR
SCHEMBL3530929 0.77 ENPP2 (0.46) ENPP2PDGFRBKDRHSP90AA1
SCHEMBL3529127 0.76 ENPP2 (0.55) ENPP2TMPRSS2PDGFRBKDRHSP90AA1
SCHEMBL3532235 0.76 L3MBTL1 (0.48) ENPP2TMPRSS2LMNAPOLB
SCHEMBL3531023 0.74 ENPP2 (0.46) ENPP2PDGFRBKDRHSP90AA1
SCHEMBL3530466 0.74 ENPP2 (0.46) ENPP2PDGFRBKDRLMNAHSP90AA1
SCHEMBL21656903 0.73 ENPP2 (0.61) ENPP2PDGFRBKDRNOTUMHSP90AA1
SCHEMBL3531326 0.73 PDGFRB (0.60) ENPP2PDGFRBKDR
SCHEMBL3528741 0.72 CYP3A4 (0.53) PDGFRBKDRLMNAPOLBHSP90AA1

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-7662828-B2 Substituted 5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2-yl compounds and 5,6,7,8-tetrahydroquinazoline-2-yl compounds GRUENENTHAL GMBH (DE) 2010-02-16 US claimed