SCHEMBL793816

SCHEMBL793816

Cc1cccc(NC(=O)N2CCCN(c3nc(N)nc4[nH]c(-c5ccc(F)cc5)nc34)CC2)c1.Nc1nc(N2CCN(C(=O)COc3ccc(Cl)cc3)CC2)c2[nH]c(=S)[nH]c2n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PI4KB Q9UBF8 5/20 0.43
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38
P2RY12 Q9H244 1/20 0.38
DGAT1 O75907 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
NLRP3 Q96P20 1/20 0.36
LIMK2 P53671 1/20 0.36
KIT P10721 5/20 0.36
PDGFRB P09619 1/20 0.35
ADORA2B P29275 1/20 0.35
ALDH1A1 P00352 1/20 0.35
TSHR P16473 1/20 0.35
MEN1 O00255 1/20 0.34
POLB P06746 1/20 0.34
KMT2A Q03164 1/20 0.34
KCNH2 Q12809 2/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL1694727 0.95 PI4KB (0.48) PI4KBPDE4APDE4BPDE4CPDE4D
SCHEMBL653518 0.84 PI4KB (0.57) PI4KBP2RY12DGAT1LIMK2KIT
SCHEMBL654042 0.84 PI4KB (0.56) PI4KBSMN1; SMN2KITALDH1A1TSHR
SCHEMBL655731 0.81 PI4KB (0.59) PI4KBSMN1; SMN2KITALDH1A1TSHR
SCHEMBL793817 0.81 PI4KB (0.35) PI4KBPDE4APDE4BPDE4CPDE4D
SCHEMBL655119 0.79 PI4KB (0.59) PI4KBSMN1; SMN2ADORA2BALDH1A1MEN1
SCHEMBL653942 0.78 PI4KB (0.64) PI4KBSMN1; SMN2ADORA2BALDH1A1MEN1
SCHEMBL1720411 0.77 PI4KB (0.57) PI4KBSMN1; SMN2ADORA2BALDH1A1TSHR
SCHEMBL653069 0.76 PI4KB (0.61) PI4KBSMN1; SMN2ALDH1A1MEN1POLB
SCHEMBL654187 0.76 PI4KB (0.48) PI4KBSMN1; SMN2ADORA2BALDH1A1TSHR

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