SCHEMBL4603243

SCHEMBL4603243

COc1c(Nc2ncnc3scc(C)c23)ccc(C(N)=O)c1C

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PIP4K2C Q8TBX8 1/20 0.45
LMNA P02545 2/20 0.43
POLB P06746 1/20 0.43
GAA P10253 1/20 0.43
PKM P14618 1/20 0.43
MKNK2 Q9HBH9 13/20 0.41
MKNK1 Q9BUB5 2/20 0.41
MAPT P10636 1/20 0.41
CDK2 P24941 2/20 0.39
FLT3 P36888 2/20 0.39
CCNA1 P78396 2/20 0.39
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
HTT P42858 1/20 0.38
FGFR1 P11362 1/20 0.38

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
SCHEMBL3800720 0.79 MKNK2 (0.57) PIP4K2CLMNAPOLBGAAPKM
SCHEMBL3798483 0.78 MAPT (0.45) PIP4K2CLMNAPOLBGAAPKM
SCHEMBL3801173 0.75 EGFR (0.47) PIP4K2CLMNAPOLBGAAPKM
SCHEMBL4603240 0.75 MKNK2 (0.52) PIP4K2CLMNAPOLBGAAPKM
SCHEMBL2815778 0.73 MKNK2 (0.71) PIP4K2CLMNAPOLBGAAPKM
SCHEMBL3804648 0.73 MKNK2 (0.60) LMNAPOLBGAAPKMMKNK2
SCHEMBL3804141 0.72 MAPT (0.52) PIP4K2CLMNAPOLBGAAPKM
SCHEMBL3804049 0.72 MAPT (0.52) PIP4K2CLMNAPOLBGAAPKM
SCHEMBL3805579 0.72 MAPT (0.53) PIP4K2CLMNAGAAMKNK2MAPT
SCHEMBL13522553 0.72 MAPK14 (0.59) LMNAPOLBGAAPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1899353-A1 THIENOPYRIMIDINES FOR PHARMACEUTICAL COMPOSITIONS DeveloGen Aktiengesellschaft (DE) 2008-03-19 EP disclosed
WO-2006136402-A1 THIENOPYRIMIDINES FOR PHARMACEUTICAL COMPOSITIONS DEVELOGEN AKTIENGESELLSCHAFT (DE) 2006-12-28 WO disclosed