SCHEMBL6430581

SCHEMBL6430581

O=C(c1cc(Cl)nc2c1c(=O)cc(Nc1ccccc1)n2-c1ccccc1F)C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE11A Q9HCR9 1/20 0.40
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
RIPK1 Q13546 5/20 0.33
USP2 O75604 2/20 0.33
HTT P42858 1/20 0.33
ATM Q13315 1/20 0.32
NOTUM Q6P988 1/20 0.32
PPARA Q07869 1/20 0.31
WEE1 P30291 1/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
HSP90AA1 P07900 1/20 0.31
GSK3B P49841 1/20 0.31
JAK1 P23458 1/20 0.30
TYK2 P29597 1/20 0.30
JAK3 P52333 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL6430583 0.77 RXFP1 (0.33) ALDH1A1RIPK1USP2HTTWEE1
SCHEMBL5871615 0.74 PDE11A (0.49) PDE11AALDH1A1HPGDRIPK1HTT
SCHEMBL5872038 0.72 PDE11A (0.66) PDE11AALDH1A1HPGDHTTWEE1
SCHEMBL8286065 0.69 PDE11A (0.46) PDE11AALDH1A1HPGDRIPK1MEN1
SCHEMBL5871751 0.69 PDE11A (0.48) PDE11AALDH1A1HPGDHTTATM
SCHEMBL8285210 0.67 PDE11A (0.44) PDE11AALDH1A1HPGDHTTNOTUM
SCHEMBL8285149 0.65 PDE11A (0.47) PDE11AALDH1A1HPGDHTTATM
SCHEMBL8362709 0.65 PDE11A (0.39) PDE11AALDH1A1HPGDRIPK1HTT
SCHEMBL8285196 0.65 PDE11A (0.64) PDE11AALDH1A1HPGDHTTNOTUM
SCHEMBL6430582 0.64 ACP1 (0.40) MEN1KMT2AGSK3BMAPT

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
US-6900205-B2 1,8-Naphthyridine derivatives and their use to treat diabetes and related disorders BAYER PHARMACEUTICALS CORPORATION (US) 2005-05-31 US disclosed