SCHEMBL1720767

SCHEMBL1720767

Nc1nc(N2CCN(CC(=O)NCCc3ccccc3)CC2)c2nc(CCc3ccc(F)cc3)sc2n1.Nc1nc(N2CCN(c3nccs3)CC2)c2nc(CCc3ccc(F)cc3)sc2n1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
LMNA P02545 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TSHR P16473 1/20 0.41
GLS O94925 1/20 0.40
SLC27A1 Q6PCB7 1/20 0.39
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
POLB P06746 2/20 0.39
PI4KB Q9UBF8 2/20 0.37
GAA P10253 1/20 0.37
GFER P55789 1/20 0.37
KCNH2 Q12809 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
SCHEMBL653262 0.92 MEN1 (0.50) MEN1KMT2ALMNASMN1; SMN2TSHR
SCHEMBL655356 0.85 MEN1 (0.39) MEN1KMT2API4KBKCNH2
SCHEMBL652418 0.78 PI4KB (0.47) MEN1KMT2ATSHRSLC27A1ALDH1A1
SCHEMBL652417 0.77 DRD4 (0.43) LMNASMN1; SMN2TSHRSLC27A1ALDH1A1
SCHEMBL653832 0.76 GFER (0.53) MEN1KMT2AALDH1A1TDP1PI4KB
SCHEMBL16649604 0.74 PI4KB (0.39) LMNAALDH1A1KDM4EPI4KBGAA
SCHEMBL656147 0.73 LTA4H (0.42) PI4KBKCNH2
SCHEMBL655387 0.73 PI4KB (0.53) MEN1KMT2ALMNASMN1; SMN2ALDH1A1
SCHEMBL4506012 0.73 MEN1 (0.49) MEN1KMT2ALMNASMN1; SMN2TSHR
SCHEMBL654037 0.72 GBA1 (0.42) KMT2ATSHRPI4KBGAAKCNH2

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