SCHEMBL7962950

SCHEMBL7962950

O=C(Nc1ccncc1)c1cn([C@H]2CCOC2)c2ncccc2c1=O

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.50
CNR2 P34972 1/20 0.50
TYK2 P29597 9/20 0.44
ELANE P08246 1/20 0.44
KCNH2 Q12809 3/20 0.44
KMT2A Q03164 1/20 0.41
PRKCI P41743 1/20 0.41
PDE4A P27815 2/20 0.40
ROCK1 Q13464 1/20 0.40
PDE4B Q07343 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39

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
SCHEMBL7960474 1.00 CNR1 (0.50) CNR1CNR2TYK2ELANEKCNH2
SCHEMBL7960497 0.89 CNR1 (0.51) CNR1CNR2ELANEKCNH2KMT2A
SCHEMBL7961804 0.87 CNR1 (0.49) CNR1CNR2ELANEKCNH2KMT2A
SCHEMBL7961887 0.87 CNR1 (0.49) CNR1CNR2ELANEKCNH2KMT2A
SCHEMBL7966487 0.86 CNR1 (0.48) CNR1CNR2ELANEKCNH2KMT2A
SCHEMBL7963003 0.85 PDE4A (0.59) TYK2KCNH2PDE4APDE4BPDE4C
SCHEMBL7962977 0.85 PDE4A (0.59) TYK2KCNH2PDE4APDE4BPDE4C
SCHEMBL7962005 0.85 CNR1 (0.48) CNR1CNR2TYK2ELANEKCNH2
SCHEMBL7960294 0.85 CNR1 (0.48) CNR1CNR2TYK2ELANEKCNH2
SCHEMBL7966465 0.85 CNR1 (0.48) CNR1CNR2ELANEKCNH2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6331548-B1 PREVENTION OR TREATMENT OF CYTOKINE RELATED DISEASES SUNTORY LIMITED (JP) 2001-12-18 US disclosed
EP-0978516-A1 1-CYCLOALKYL-1,8-NAPHTHYRIDIN-4-ONE DERIVATIVES WITH PHOSPHODIESTERASE IV INHIBITORY ACTIVITY SUNTORY LIMITED (JP) 2000-02-09 EP disclosed