SCHEMBL13998748

SCHEMBL13998748

Fc1cc(-c2nc3cccnc3n2-c2ccccc2)cc(-c2nc3cccnc3n2-c2ccccc2)c1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 3/20 0.52
TSHR P16473 2/20 0.52
ALDH1A1 P00352 1/20 0.52
AKT1 P31749 8/20 0.48
AKT2 P31751 3/20 0.46
USP2 O75604 2/20 0.44
CYP1A2 P05177 2/20 0.44
CYP2C9 P11712 2/20 0.44
MAPK1 P28482 1/20 0.44
PDE4B Q07343 6/20 0.43
AKT3 Q9Y243 1/20 0.43
PDE4D Q08499 5/20 0.42
MEN1 O00255 1/20 0.41
POLB P06746 1/20 0.41
PABPC1 P11940 1/20 0.41
KMT2A Q03164 1/20 0.41
CYP3A4 P08684 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MAPT P10636 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
SCHEMBL65343 0.93 ALDH1A1 (0.55) CYP2C19TSHRALDH1A1AKT1AKT2
SCHEMBL13053031 0.91 ALDH1A1 (0.54) CYP2C19TSHRALDH1A1AKT1AKT2
SCHEMBL13053034 0.87 AKT1 (0.51) CYP2C19TSHRALDH1A1AKT1AKT2
SCHEMBL13998758 0.87 AKT1 (0.53) CYP2C19TSHRALDH1A1AKT1AKT2
SCHEMBL13314059 0.87 AKT1 (0.57) CYP2C19TSHRALDH1A1AKT1AKT2
SCHEMBL14012348 0.86 ALDH1A1 (0.49) CYP2C19TSHRALDH1A1AKT1AKT2
SCHEMBL13023868 0.86 ESR1 (0.52) CYP2C19TSHRALDH1A1AKT1AKT2
SCHEMBL15197419 0.86 ESR1 (0.52) CYP2C19TSHRALDH1A1AKT1AKT2
SCHEMBL13998723 0.86 AKT1 (0.56) CYP2C19TSHRALDH1A1AKT1AKT2
SCHEMBL16201587 0.86 AKT1 (0.56) CYP2C19TSHRALDH1A1AKT1AKT2

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
US-20080315185-A1 Photodetector FUJIFILM CORPORATION (JP) 2008-12-25 US disclosed
US-20080315185-A1 Photodetector FUJIFILM CORPORATION (JP) 2008-12-25 US disclosed