SCHEMBL8285151

SCHEMBL8285151

O=c1cc(Nc2ccccc2)n(-c2ccccc2)c2nc(N3CCNCC3)cc(C(F)(F)F)c12

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE11A Q9HCR9 1/20 0.80
CDK4 P11802 2/20 0.40
CCND1 P24385 1/20 0.40
CCND2 P30279 1/20 0.40
CCND3 P30281 1/20 0.40
HTR2C P28335 1/20 0.39
KMT2A Q03164 3/20 0.38
POLB P06746 1/20 0.38
CYP1A2 P05177 3/20 0.37
PRKD1 Q15139 2/20 0.37
PRKD2 Q9BZL6 2/20 0.37
CYP2C19 P33261 1/20 0.37
CYP2C9 P11712 1/20 0.37
ADRB2 P07550 2/20 0.37
IDH2 P48735 1/20 0.37
PIM1 P11309 1/20 0.36
MEN1 O00255 2/20 0.36
LMNA P02545 2/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36

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 0.91 PDE11A (0.87) PDE11ACDK4CCND1CCND2CCND3
SCHEMBL5871369 0.90 PDE11A (0.82) PDE11AKMT2APOLBIDH2MEN1
SCHEMBL8285154 0.89 PDE11A (1.00) PDE11ALMNAHTTTP53HIF1A
SCHEMBL8285158 0.89 PDE11A (0.80) PDE11ACDK4CCND1CCND2CCND3
SCHEMBL8287152 0.85 PDE11A (0.75) PDE11AHTR2CALDH1A1CASP1KDM1A
SCHEMBL5871598 0.85 PDE11A (0.58) PDE11ACDK4CCND1CCND2CCND3
SCHEMBL8285260 0.85 PDE11A (0.73) PDE11AKMT2APOLBCYP1A2CYP2C19
SCHEMBL8287889 0.84 PDE11A (0.73) PDE11A
SCHEMBL8287175 0.84 PDE11A (0.69) PDE11ALMNAMAPTHTT
SCHEMBL8286367 0.83 PDE11A (0.73) PDE11AMAPTALDH1A1HSD17B10

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