SCHEMBL793817

SCHEMBL793817

Cc1cccc(NC(=O)[N+]2(C(Oc3ccc(Cl)cc3)C(=O)N3CCN(c4nc(N)nc5[nH]c(=S)[nH]c45)CC3)CCCN(c3nc(N)nc4[nH]c(-c5ccc(F)cc5)nc34)CC2)c1

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PI4KB Q9UBF8 1/20 0.35
DGAT1 O75907 1/20 0.32
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 0.32
KIT P10721 2/20 0.31

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
SCHEMBL793816 0.81 PI4KB (0.43) PI4KBDGAT1PDE4APDE4BPDE4C
SCHEMBL1694727 0.75 PI4KB (0.48) PI4KBDGAT1PDE4APDE4BPDE4C
SCHEMBL653518 0.74 PI4KB (0.57) PI4KBDGAT1KIT
SCHEMBL654042 0.68 PI4KB (0.56) PI4KBKIT
SCHEMBL655731 0.68 PI4KB (0.59) PI4KBKIT
SCHEMBL653903 0.67 HSP90AA1 (0.51) KIT
SCHEMBL654247 0.65 HRH4 (0.48) KIT
SCHEMBL655119 0.65 PI4KB (0.59) PI4KB
SCHEMBL654776 0.64 ALDH1A1 (0.51) KIT
SCHEMBL652590 0.64 HRH4 (0.47)

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
EP-2405973-A2 THIAZOLOPYRIMIDINE MODULATORS AS IMMUNOSUPPRESSIVE AGENTS Katholieke Universiteit Leuven, K.U. Leuven R&D (BE) 2012-01-18 EP disclosed