SCHEMBL7042407

SCHEMBL7042407

CCOc1ccnc(CCc2nc3cc(-c4ccc(N)cc4)cnc3[nH]2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 10/20 0.47
NOS1 P29475 9/20 0.47
NOS3 P29474 6/20 0.47
CYP2C9 P11712 1/20 0.40
FGFR3 P22607 2/20 0.37
MEN1 O00255 1/20 0.36
TERT O14746 1/20 0.36
ABCB11 O95342 1/20 0.36
LMNA P02545 1/20 0.36
THRB P10828 1/20 0.36
BLM P54132 1/20 0.36
KMT2A Q03164 1/20 0.36
SREBF2 Q12772 1/20 0.36
NTRK1 P04629 1/20 0.35
MAP4K4 O95819 1/20 0.35
KIT P10721 1/20 0.35
CCNT1 O60563 1/20 0.35
CCNA2 P20248 1/20 0.35
CDK2 P24941 1/20 0.35
CDK9 P50750 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
SCHEMBL5033966 0.92 NOS2 (0.57) NOS2NOS1NOS3CYP2C9FGFR3
SCHEMBL5041160 0.82 NOS2 (0.58) NOS2NOS1NOS3CYP2C9FGFR3
SCHEMBL5036602 0.81 NOS2 (0.57) NOS2NOS1NOS3CYP2C9FGFR3
SCHEMBL5036512 0.81 NOS2 (0.57) NOS2NOS1NOS3CYP2C9FGFR3
SCHEMBL4664600 0.81 NOS2 (0.59) NOS2NOS1NOS3CYP2C9FGFR3
SCHEMBL5036501 0.81 NOS2 (0.70) NOS2NOS1NOS3CYP2C9FGFR3
SCHEMBL5033919 0.80 NOS2 (0.55) NOS2NOS1NOS3CYP2C9FGFR3
SCHEMBL4134847 0.79 NOS2 (0.52) NOS2NOS1NOS3CYP2C9FGFR3
Dimethylamine SCHEMBL5033922 0.79 NOS2 (0.68) NOS2NOS1NOS3CYP2C9FGFR3
SCHEMBL6871318 0.79 NOS2 (0.44) NOS2NOS1NOS3CYP2C9FGFR3

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
EP-1490366-A1 NOVEL ALKOXYPYRIDINE-DERIVATIVES ALTANA Pharma AG (DE) 2004-12-29 EP disclosed
WO-2003080607-A1 NOVEL ALKOXYPYRIDINE-DERIVATIVES ALTANA PHARMA AG (DE) 2003-10-02 WO disclosed