SCHEMBL7364877

SCHEMBL7364877

Cc1nc2cccnc2n1-c1ccc(O)cc1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 2/20 0.57
TP53 P04637 4/20 0.54
MAPT P10636 1/20 0.53
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
POLB P06746 1/20 0.51
PABPC1 P11940 1/20 0.51
AKT1 P31749 3/20 0.50
AKT2 P31751 2/20 0.50
RXFP1 Q9HBX9 1/20 0.47
PDE4B Q07343 1/20 0.46
AKT3 Q9Y243 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ESR1 P03372 1/20 0.46
ESR2 Q92731 1/20 0.46

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
SCHEMBL540893 0.85 MAPK1 (0.59) PDE10ATP53MAPTMEN1KMT2A
SCHEMBL13052922 0.83 PDE10A (0.56) PDE10ATP53MAPTMEN1KMT2A
SCHEMBL17077773 0.82 MEN1 (0.60) PDE10ATP53MAPTMEN1KMT2A
SCHEMBL9726854 0.81 PDE4B (0.55) PDE10ATP53MAPTMEN1KMT2A
SCHEMBL13052928 0.80 TP53 (0.51) PDE10ATP53MAPTMEN1KMT2A
SCHEMBL28100866 0.79 MEN1 (0.62) PDE10ATP53MAPTMEN1KMT2A
SCHEMBL18355591 0.78 TP53 (0.49) PDE10ATP53MAPTMEN1KMT2A
SCHEMBL18355574 0.78 MEN1 (0.58) PDE10ATP53MAPTMEN1KMT2A
Bromide SCHEMBL18614592 0.77 MEN1 (0.57) PDE10ATP53MAPTMEN1KMT2A
SCHEMBL12628707 0.76 PDE10A (0.50) PDE10ATP53MAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5814651-A PHOSPHODIESTERASE TYPE FOUR INHIBITORS PFIZER INC. (US) 1998-09-29 US disclosed
EP-0672031-A1 CATECHOL DIETHERS AS SELECTIVE PDE IV? INHIBITORS PFIZER INC. (US) 1995-09-20 EP disclosed
CN-1094028-A Selective PDE enzyme (IV) inhibitor catechol diether class PFIZER (US) 1994-10-26 CN disclosed
WO-1994012461-A1 CATECHOL DIETHERS AS SELECTIVE PDEIV INHIBITORS PFIZER INC. (US) 1994-06-09 WO disclosed