SCHEMBL8285287

SCHEMBL8285287

NCc1cc(C(F)(F)F)c2c(=O)cc(Nc3ccccc3)n(-c3ccccc3)c2n1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE11A Q9HCR9 1/20 0.63
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
MAPT P10636 3/20 0.36
LMNA P02545 2/20 0.36
HTT P42858 1/20 0.36
WEE1 P30291 1/20 0.35
CNR1 P21554 2/20 0.34
CNR2 P34972 2/20 0.34
CDK4 P11802 1/20 0.33
CCND1 P24385 1/20 0.33
CCND2 P30279 1/20 0.33
CCND3 P30281 1/20 0.33
CYP1A2 P05177 1/20 0.33
GSK3B P49841 2/20 0.32
ALDH1A1 P00352 1/20 0.32
KLKB1 P03952 1/20 0.32
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL8285267 0.89 PDE11A (0.62) PDE11AMEN1KMT2AMAPTLMNA
SCHEMBL8287847 0.87 PDE11A (0.60) PDE11AMEN1KMT2AMAPTLMNA
SCHEMBL8285254 0.86 PDE11A (0.59) PDE11AMEN1KMT2AMAPTLMNA
SCHEMBL8287507 0.86 PDE11A (0.59) PDE11AMEN1KMT2AMAPTLMNA
SCHEMBL8285270 0.85 PDE11A (0.58) PDE11AMEN1KMT2AMAPTLMNA
SCHEMBL8287478 0.84 PDE11A (0.60) PDE11AMEN1KMT2AMAPTLMNA
SCHEMBL8285283 0.84 PDE11A (0.57) PDE11AMEN1KMT2AMAPTLMNA
SCHEMBL8287500 0.84 PDE11A (0.57) PDE11AMEN1KMT2AMAPTLMNA
SCHEMBL8285257 0.84 PDE11A (0.57) PDE11AMEN1KMT2AMAPTLMNA
SCHEMBL6879695 0.84 PDE11A (0.66) PDE11AMEN1KMT2AMAPTLMNA

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
WO-2005091857-A2 1,6-NAPHTHYRIDINE AND 1,8-NAPHTHYRIDINE DERIVATIVES AND THEIR USE TO TREAT DIABETES AND RELATED DISORDERS BAYER PHARMACEUTICALS CORPORATION (US) 2005-10-06 WO disclosed