SCHEMBL8286114

SCHEMBL8286114

O=C(CCc1cc(C(F)(F)F)c2c(=O)cc(Nc3ccccc3)n(-c3ccccc3)c2n1)NC1CCCCC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE11A Q9HCR9 1/20 0.53
ALDH1A1 P00352 3/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
USP2 O75604 2/20 0.41
KDM4E B2RXH2 1/20 0.41
HTT P42858 1/20 0.41
HPGD P15428 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
EPHX2 P34913 1/20 0.37
EPHX1 P07099 1/20 0.37
IGSF11 Q5DX21 1/20 0.37
RAB9A P51151 1/20 0.36
LMNA P02545 2/20 0.36
TSHR P16473 2/20 0.36
TP53 P04637 1/20 0.36
MAPT P10636 2/20 0.35
POLB P06746 1/20 0.35
MAPK1 P28482 1/20 0.35
RXFP1 Q9HBX9 2/20 0.35

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
SCHEMBL8285263 0.87 PDE11A (0.56) PDE11AMEN1KMT2AHTTTP53
SCHEMBL8362903 0.86 PDE11A (0.56) PDE11AALDH1A1MEN1KMT2AHTT
SCHEMBL8285254 0.86 PDE11A (0.59) PDE11AALDH1A1MEN1KMT2AKDM4E
SCHEMBL8287479 0.85 PDE11A (0.57) PDE11AALDH1A1MEN1KMT2AUSP2
SCHEMBL8285266 0.85 PDE11A (0.57) PDE11AALDH1A1MEN1KMT2AKDM4E
SCHEMBL8285257 0.84 PDE11A (0.57) PDE11AALDH1A1MEN1KMT2AHTT
SCHEMBL8285280 0.82 PDE11A (0.56) PDE11AALDH1A1MEN1KMT2AKDM4E
SCHEMBL8285258 0.82 PDE11A (0.55) PDE11AALDH1A1MEN1KMT2AHTT
SCHEMBL8287887 0.80 PDE11A (0.57) PDE11AALDH1A1MEN1KMT2AUSP2
SCHEMBL8285287 0.78 PDE11A (0.63) PDE11AALDH1A1MEN1KMT2AUSP2

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
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
WO-2003027112-A1 1, 8-NAPHTHYRIDINE DERIVATIVES AS ANTIDIABETICS BAYER PHARMACEUTICALS CORPORATION (US) 2003-04-03 WO disclosed