SCHEMBL5742989

SCHEMBL5742989

CC(N)CCCNC(=O)OC1CCc2c(sc(NC(=O)C3CC3)c2C(N)=O)C1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 1/20 0.48
POLB P06746 1/20 0.47
REV1 Q9UBZ9 2/20 0.47
MAPT P10636 5/20 0.46
DUSP3 P51452 1/20 0.46
PTPN5 P54829 1/20 0.46
PTPN11 Q06124 1/20 0.46
AIP O00170 1/20 0.43
SGTA O43765 1/20 0.43
TOMM70 O94826 1/20 0.43
STIP1 P31948 1/20 0.43
PPP5C P53041 1/20 0.43
DNAJC7 Q99615 1/20 0.43
STUB1 Q9UNE7 1/20 0.43
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
KDM4E B2RXH2 2/20 0.40
HSD17B10 Q99714 1/20 0.40
ALDH1A1 P00352 3/20 0.40
HTT P42858 1/20 0.40

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
SCHEMBL5460925 0.86 FLT3 (0.51) FLT3POLBREV1MAPTDUSP3
SCHEMBL5448304 0.86 FLT3 (0.48) FLT3POLBREV1MAPTDUSP3
SCHEMBL5453224 0.78 FLT3 (0.64) FLT3POLBREV1MAPTDUSP3
SCHEMBL5450835 0.72 POLB (0.62) FLT3POLBREV1MAPTDUSP3
SCHEMBL5449204 0.72 FLT3 (0.68) FLT3POLBREV1MAPTDUSP3
SCHEMBL3916303 0.72 REV1 (0.79) FLT3POLBREV1MAPTDUSP3
SCHEMBL5457919 0.72 FLT3 (0.48) FLT3POLBREV1MAPTDUSP3
SCHEMBL5451302 0.71 FLT3 (0.70) FLT3POLBREV1MAPTDUSP3
SCHEMBL5455042 0.71 FLT3 (0.70) FLT3POLBREV1MAPTDUSP3
SCHEMBL8291584 0.71 REV1 (0.61) FLT3POLBREV1MAPTDUSP3

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-1670804-A2 HETEROBICYCLIC COMPOUNDS AS PHARMACEUTICALLY ACTIVE AGENTS GPC Biotech AG (DE) 2006-06-21 EP claimed
WO-2005023818-A2 HETEROBICYCLIC COMPOUNDS AS PHARMACEUTICALLY ACTIVE AGENTS GPC BIOTECH AG (DE) 2005-03-17 WO claimed