SCHEMBL8285158

SCHEMBL8285158

CN1CCN(c2cc(C(F)(F)F)c3c(=O)cc(Nc4ccccc4)n(-c4ccccc4)c3n2)CC1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE11A Q9HCR9 1/20 0.80
MET P08581 1/20 0.42
CDK4 P11802 3/20 0.40
CCND3 P30281 2/20 0.40
CCND1 P24385 2/20 0.40
CCND2 P30279 1/20 0.40
DRD2 P14416 1/20 0.40
HTR6 P50406 1/20 0.40
MAT2A P31153 1/20 0.38
HRH4 Q9H3N8 1/20 0.38
CYP1A2 P05177 3/20 0.37
ALDH1A1 P00352 3/20 0.37
CYP2C19 P33261 2/20 0.37
TSHR P16473 2/20 0.37
HSD17B10 Q99714 2/20 0.37
PIM1 P11309 1/20 0.37
GSK3B P49841 1/20 0.37
KDM4E B2RXH2 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37

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
SCHEMBL8286364 0.93 PDE11A (0.87) PDE11AMETCDK4CCND3CCND1
SCHEMBL5871369 0.90 PDE11A (0.82) PDE11AALDH1A1SMN1; SMN2TP53MAPT
SCHEMBL8285151 0.89 PDE11A (0.80) PDE11ACDK4CCND3CCND1CCND2
SCHEMBL8285154 0.89 PDE11A (1.00) PDE11AKDM4EPTK2CLK4TP53
SCHEMBL8287152 0.87 PDE11A (0.75) PDE11ADRD2ALDH1A1TSHRKDM4E
SCHEMBL8285166 0.87 PDE11A (0.60) PDE11ACDK4CCND3CCND1CCND2
SCHEMBL8285260 0.87 PDE11A (0.73) PDE11ACYP1A2ALDH1A1CYP2C19HSD17B10
SCHEMBL8287889 0.86 PDE11A (0.73) PDE11AHRH4
SCHEMBL8287175 0.85 PDE11A (0.69) PDE11ADRD2KDM4ESMN1; SMN2MAPT
SCHEMBL8286367 0.84 PDE11A (0.73) PDE11AALDH1A1TSHRHSD17B10KDM4E

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