SCHEMBL8286089

SCHEMBL8286089

COCCNc1cc(C(F)(F)F)c2c(=O)cc(Nc3cccc(F)c3)n(-c3cccc(F)c3)c2n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE11A Q9HCR9 1/20 0.45
HPGD P15428 1/20 0.38
CYP1A2 P05177 3/20 0.35
CYP2C19 P33261 3/20 0.35
CYP3A4 P08684 2/20 0.35
CLK4 Q9HAZ1 2/20 0.35
KDM4E B2RXH2 1/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
GLA P06280 1/20 0.35
CYP2C9 P11712 1/20 0.35
ADORA2A P29274 1/20 0.34
ADORA1 P30542 1/20 0.34
MEN1 O00255 1/20 0.34
POLB P06746 1/20 0.34
KMT2A Q03164 1/20 0.34
RXFP1 Q9HBX9 1/20 0.33
TBK1 Q9UHD2 1/20 0.33

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
SCHEMBL8287857 0.89 PDE11A (0.56) PDE11AHPGDCYP1A2CYP2C19CYP3A4
SCHEMBL8286094 0.86 PDE11A (0.45) PDE11AHPGDCYP1A2CYP2C19CYP3A4
SCHEMBL8361753 0.86 PDE11A (0.46) PDE11AHPGDCYP1A2CYP3A4CYP2C9
SCHEMBL8287868 0.79 PDE11A (0.47) PDE11AMDM2LMNATP53MAPT
SCHEMBL8286374 0.78 PDE11A (0.45) PDE11APOLBALDH1A1MDM2MAPT
SCHEMBL8286378 0.77 PDE11A (0.49) PDE11AMDM2LMNATP53MAPT
SCHEMBL8286369 0.77 PDE11A (0.59) PDE11AHPGDKDM4ETSHRTDP1
SCHEMBL8285140 0.75 KCNH3 (0.44) PDE11AHPGDKDM4EHSD17B10GLA
SCHEMBL8287850 0.75 PDE11A (0.56) PDE11AADORA2AKCNH3LMNATP53
SCHEMBL8286385 0.75 PDE11A (0.79) PDE11AKDM4ETP53

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