SCHEMBL8286116

SCHEMBL8286116

CCNC(=O)Nc1cc(C(F)(F)F)c2c(=O)cc(Nc3ccccc3)n(-c3ccccc3)c2n1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE11A Q9HCR9 1/20 0.56
CNR1 P21554 2/20 0.40
CNR2 P34972 2/20 0.40
PIK3R2 O00459 1/20 0.36
MAPK1 P28482 1/20 0.36
PIK3CA P42336 1/20 0.36
MAPK8 P45983 1/20 0.36
MAPK9 P45984 1/20 0.36
MAPK10 P53779 1/20 0.36
BUB1 O43683 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
NTRK1 P04629 2/20 0.35
KCNJ6 P48051 1/20 0.35
KCNJ5 P48544 1/20 0.35
KCNJ3 P48549 1/20 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
SCHEMBL8286121 0.90 PDE11A (0.60) PDE11ACNR1CNR2MEN1KMT2A
SCHEMBL8286113 0.90 PDE11A (0.60) PDE11ACNR1CNR2MAPK1MEN1
SCHEMBL8287840 0.88 PDE11A (0.54) PDE11ACNR1CNR2MEN1KMT2A
SCHEMBL8286117 0.85 PDE11A (0.59) PDE11ACNR1CNR2MEN1KMT2A
SCHEMBL8287114 0.83 PDE11A (0.59) PDE11ACNR1CNR2MEN1KMT2A
SCHEMBL8285152 0.83 PDE11A (0.56) PDE11ACNR1CNR2MEN1KMT2A
SCHEMBL8285156 0.82 PDE11A (0.56) PDE11ACNR1CNR2MAPK9MAPK10
SCHEMBL8287838 0.82 PDE11A (0.57) PDE11ACNR1CNR2PIK3R2MEN1
SCHEMBL8287105 0.82 PDE11A (0.53) PDE11ACNR1CNR2MEN1KMT2A
SCHEMBL8286369 0.81 PDE11A (0.59) PDE11ACNR1CNR2MEN1KMT2A

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