SCHEMBL1377648

SCHEMBL1377648

CCc1ccc(Oc2cnc(N)nc2N[C@H]2CC[C@H](O)CC2)c(Cl)c1.Nc1ncc(Oc2ccc(Cl)cc2F)c(N[C@H]2CC[C@H](O)CC2)n1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 2/20 0.39
PDE5A O76074 8/20 0.37
MERTK Q12866 4/20 0.37
FLT3 P36888 3/20 0.37
TYRO3 Q06418 3/20 0.37
GAS6 Q14393 3/20 0.37
GRIN2B Q13224 1/20 0.36
GPR6 P46095 1/20 0.35
CCNT1 O60563 1/20 0.34
AXL P30530 1/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
KCNH2 Q12809 1/20 0.34

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
SCHEMBL1377646 1.00 MAPK14 (0.39) MAPK14PDE5AMERTKFLT3TYRO3
SCHEMBL5205130 0.92 PDE5A (0.42) PDE5AMERTKFLT3TYRO3GAS6
SCHEMBL5205128 0.92 PDE5A (0.42) PDE5AMERTKFLT3TYRO3GAS6
SCHEMBL5203513 0.89 MAPK14 (0.43) MAPK14MERTKFLT3TYRO3GAS6
SCHEMBL5203505 0.89 MAPK14 (0.43) MAPK14MERTKFLT3TYRO3GAS6
SCHEMBL5203216 0.86 MERTK (0.39) MAPK14MERTKFLT3TYRO3GAS6
SCHEMBL5203220 0.86 MERTK (0.39) MAPK14MERTKFLT3TYRO3GAS6
Hydrochloric Acid SCHEMBL5206994 0.85 MERTK (0.38) MAPK14PDE5AMERTKFLT3TYRO3
Hydrochloric Acid SCHEMBL5207002 0.85 MERTK (0.38) MAPK14PDE5AMERTKFLT3TYRO3
SCHEMBL7161086 0.82 MAPK14 (0.43) MAPK14MERTKFLT3TYRO3GAS6

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4743463-B2 2011-08-10 JP claimed
JP-2002541245-A 2002-12-03 JP claimed
EP-1165523-A1 NEUROTROPHIC SUBSTITUTED PYRIMIDINES Krenitsky Pharmaceuticals, Inc. (US) 2002-01-02 EP claimed
WO-2000061562-A1 NEUROTROPHIC SUBSTITUTED PYRIMIDINES KRENITSKY PHARMACEUTICALS INC. (US) 2000-10-19 WO claimed
EP-1165523-A1 NEUROTROPHIC SUBSTITUTED PYRIMIDINES Krenitsky Pharmaceuticals, Inc. (US) 2002-01-02 EP disclosed
WO-2000061562-A1 NEUROTROPHIC SUBSTITUTED PYRIMIDINES KRENITSKY PHARMACEUTICALS INC. (US) 2000-10-19 WO disclosed