SCHEMBL2013882

SCHEMBL2013882

OCCn1cc(-c2cnc3nnn(Cc4cccc5cccnc45)c3n2)cn1

nearest known ligand 0.72

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MET P08581 20/20 0.72
PDE3B Q13370 2/20 0.69
PDE3A Q14432 2/20 0.69
CYP2C9 P11712 1/20 0.69
PDE10A Q9Y233 1/20 0.69
PDE4C Q08493 1/20 0.55
PDE4D Q08499 1/20 0.55

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
SCHEMBL2566584 0.87 MET (0.70) METPDE3BPDE3APDE4CPDE4D
SCHEMBL2572332 0.84 MET (1.00) METPDE3BPDE3ACYP2C9PDE10A
SCHEMBL12693351 0.82 MET (1.00) METPDE3BPDE3ACYP2C9PDE10A
SCHEMBL12689728 0.82 MET (0.78) METPDE3BPDE3ACYP2C9PDE10A
Pf-04217903 SCHEMBL29355971 0.82 MET (1.00) METPDE3BPDE3ACYP2C9PDE10A
Pf-04217903 SCHEMBL29394198 0.82 MET (1.00) METPDE3BPDE3ACYP2C9PDE10A
Pf-04217903 SCHEMBL93550 0.82 MET (1.00) METPDE3BPDE3ACYP2C9PDE10A
SCHEMBL2572670 0.82 MET (0.56) METPDE3BPDE3ACYP2C9PDE10A
SCHEMBL12487526 0.81 MET (0.77) METPDE3BPDE3ACYP2C9PDE10A
SCHEMBL12487531 0.81 MET (1.00) METPDE3BPDE3ACYP2C9PDE10A

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 3 patents. 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 claimed
WO-2011067189-A2 CMET INHIBITORS FOR TREATING ENDOMETRIOSIS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-06-09 WO claimed
WO-2011067189-A2 CMET INHIBITORS FOR TREATING ENDOMETRIOSIS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-06-09 WO disclosed