SCHEMBL1032702

SCHEMBL1032702

COc1ccc(CNC(=S)N2CCN(c3ncnc4[nH]cnc34)CC2)cc1

nearest known ligand 0.65

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 15/20 0.65
PDGFRA P16234 12/20 0.65
GAA P10253 1/20 0.55
MAPT P10636 1/20 0.55
KIT P10721 4/20 0.53
KDM4E B2RXH2 1/20 0.52
KDR P35968 1/20 0.48
FLT3 P36888 1/20 0.48

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
SCHEMBL1029982 0.86 PDGFRB (0.61) PDGFRBPDGFRAGAAMAPTKIT
SCHEMBL1032705 0.86 PDGFRB (0.62) PDGFRBPDGFRAGAAMAPTKIT
SCHEMBL1028115 0.80 KIT (0.66) PDGFRBPDGFRAGAAMAPTKIT
Hydrochloric Acid SCHEMBL1031469 0.79 PDGFRB (0.61) PDGFRBPDGFRAMAPTKITKDM4E
SCHEMBL2923035 0.78 PDGFRB (1.00) PDGFRBPDGFRAKITKDRFLT3
SCHEMBL1792762 0.78 MAPT (0.67) GAAMAPT
SCHEMBL7664440 0.75 MEN1 (0.53) PDGFRBPDGFRAGAAMAPTKIT
SCHEMBL2914254 0.74 PDGFRB (0.78) PDGFRBPDGFRAKIT
SCHEMBL1029983 0.72 RECQL (0.62) PDGFRBPDGFRAGAAMAPTKIT
SCHEMBL1002967 0.71 AKT2 (0.54) MAPTKIT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1067123-B1 NITROGENOUS HETEROCYCLIC COMPOUNDS KYOWA HAKKO KIRIN CO LTD (JP) 2011-01-19 EP disclosed
US-6423716-B1 Nitrogenous heterocyclic compounds KYOWA HAKKO KOGYO CO., LTD. (JP) 2002-07-23 US disclosed
EP-1067123-A1 NITROGENOUS HETEROCYCLIC COMPOUNDS KYOWA HAKKO KOGYO CO., LTD. (JP) 2001-01-10 EP disclosed