SCHEMBL2575316

SCHEMBL2575316

Cc1cccc(-c2cnc3nnn(Cc4ccc5ncccc5c4)c3n2)c1

nearest known ligand 0.72

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MET P08581 20/20 0.72
CYP2C9 P11712 1/20 0.65
PDE3B Q13370 1/20 0.65
PDE3A Q14432 1/20 0.65
PDE10A Q9Y233 1/20 0.65

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
SCHEMBL2575306 0.90 MET (0.81) METCYP2C9PDE3BPDE3APDE10A
SCHEMBL2570742 0.88 MET (0.69) METCYP2C9PDE3BPDE3APDE10A
SCHEMBL3318351 0.87 MET (0.71) METCYP2C9PDE3BPDE3APDE10A
SCHEMBL12121792 0.87 MET (0.58) METCYP2C9PDE3BPDE3APDE10A
SCHEMBL28922896 0.87 MET (0.70) METCYP2C9PDE3BPDE3APDE10A
SCHEMBL30948878 0.86 MET (0.67) METCYP2C9PDE3BPDE3APDE10A
SCHEMBL22109395 0.86 MET (0.67) METCYP2C9PDE3BPDE3APDE10A
SCHEMBL2574063 0.86 MET (0.81) METCYP2C9PDE3BPDE3APDE10A
SCHEMBL2571074 0.85 MET (0.65) METCYP2C9PDE3BPDE3APDE10A
SCHEMBL2572667 0.84 MET (0.81) METCYP2C9PDE3BPDE3APDE10A

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
EP-2018383-B1 TRIAZOLOPYRAZINE DERIVATIVES USEFUL AS ANTI-CANCER AGENTS PFIZER PROD INC (US) 2011-11-09 EP disclosed