SCHEMBL14199066

SCHEMBL14199066

CC(F)(c1ccc2ncccc2c1)c1nnc2ccc(-c3cccc(N)c3)nn12

nearest known ligand 0.67

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MET P08581 19/20 0.67
PDE3B Q13370 3/20 0.60
PDE3A Q14432 3/20 0.60
NQO2 P16083 1/20 0.60
PIP4K2C Q8TBX8 1/20 0.60
PDE1A P54750 2/20 0.47
PDE4C Q08493 2/20 0.47
PDE4D Q08499 2/20 0.47
PDE1C Q14123 2/20 0.47
PDE11A Q9HCR9 2/20 0.47
PDE10A Q9Y233 2/20 0.47

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
SCHEMBL12049397 0.90 MET (0.68) METPDE3BPDE3ANQO2PIP4K2C
SCHEMBL10242471 0.87 MET (0.71) METPDE3BPDE3ANQO2PIP4K2C
SCHEMBL12049398 0.86 MET (0.64) METPDE3BPDE3ANQO2PIP4K2C
SCHEMBL10242512 0.86 MET (0.73) METPDE3BPDE3ANQO2PIP4K2C
SCHEMBL10242499 0.85 MET (0.66) METPDE3BPDE3ANQO2PIP4K2C
SCHEMBL10242511 0.84 MET (0.65) METPDE3BPDE3ANQO2PIP4K2C
SCHEMBL14199540 0.83 MET (0.44) METPDE3BPDE3ANQO2PIP4K2C
SCHEMBL12049503 0.81 MET (0.81) METPDE3BPDE3ANQO2PIP4K2C
SCHEMBL12049487 0.81 MET (0.81) METPDE3BPDE3ANQO2PIP4K2C
SCHEMBL14199040 0.81 MET (0.58) METPDE3BPDE3ANQO2PIP4K2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008051805-A2 TRIAZOLO-PYRIDAZINE PROTEIN KINASE MODULATORS SGX PHARMACEUTICALS, INC. (US) 2008-05-02 WO disclosed