SCHEMBL7042467

SCHEMBL7042467

CCSc1cc(C(F)(F)F)c2c(=O)cc(Nc3ccccc3)n(-c3ccccc3)c2n1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE11A Q9HCR9 1/20 0.60
ALDH1A1 P00352 2/20 0.43
WEE1 P30291 1/20 0.36
PDE7A Q13946 1/20 0.35
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
CNR1 P21554 2/20 0.35
CNR2 P34972 2/20 0.35
MAPT P10636 2/20 0.35
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35
GAA P10253 2/20 0.34
POLB P06746 1/20 0.34
CYP1A2 P05177 1/20 0.33
GSK3B P49841 2/20 0.33
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.32
HSD17B10 Q99714 1/20 0.32
APLNR P35414 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
SCHEMBL5871955 0.91 PDE11A (0.56) PDE11AALDH1A1WEE1MEN1KMT2A
SCHEMBL8287366 0.90 PDE11A (0.57) PDE11AALDH1A1WEE1MEN1KMT2A
SCHEMBL8287191 0.89 PDE11A (0.59) PDE11AALDH1A1WEE1PDE7AMEN1
SCHEMBL5871578 0.89 PDE11A (0.58) PDE11AALDH1A1MEN1KMT2ACNR1
SCHEMBL8286360 0.87 PDE11A (0.55) PDE11AALDH1A1MEN1KMT2ACNR1
SCHEMBL8286363 0.87 PDE11A (0.56) PDE11AALDH1A1MEN1KMT2ACNR1
SCHEMBL8287819 0.87 PDE11A (0.53) PDE11AALDH1A1MEN1KMT2AMAPT
SCHEMBL8287106 0.86 PDE11A (0.54) PDE11AALDH1A1CNR1CNR2MAPT
SCHEMBL8285157 0.86 PDE11A (0.60) PDE11AALDH1A1WEE1MEN1KMT2A
SCHEMBL8287836 0.86 PDE11A (0.56) PDE11AALDH1A1MAPTLMNAPOLB

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 4 patents. 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
EP-1432710-A1 1, 8-NAPHTHYRIDINE DERIVATIVES AS ANTIDIABETICS Bayer Pharmaceuticals Corporation (US) 2004-06-30 EP disclosed
WO-2003027112-A1 1, 8-NAPHTHYRIDINE DERIVATIVES AS ANTIDIABETICS BAYER PHARMACEUTICALS CORPORATION (US) 2003-04-03 WO disclosed
WO-2003027112-A1 1, 8-NAPHTHYRIDINE DERIVATIVES AS ANTIDIABETICS BAYER PHARMACEUTICALS CORPORATION (US) 2003-04-03 WO disclosed