SCHEMBL7169656

SCHEMBL7169656

O=C(Nc1ccncc1)c1cn(-c2ccncc2)c2ncccc2c1=O

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 13/20 0.62
PDE4A P27815 13/20 0.62
KMT2A Q03164 1/20 0.49
PRKCI P41743 1/20 0.49
PDE4B Q07343 1/20 0.46
PDE4C Q08493 1/20 0.46
PDE4D Q08499 1/20 0.46
S1PR1 P21453 1/20 0.45
S1PR3 Q99500 1/20 0.45
POLB P06746 1/20 0.44

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
SCHEMBL7174514 0.92 KCNH2 (0.60) KCNH2PDE4AKMT2APRKCI
SCHEMBL7175570 0.92 PDE4A (0.60) KCNH2PDE4AKMT2APDE4BPDE4C
SCHEMBL7175019 0.92 KCNH2 (0.74) KCNH2PDE4AKMT2APRKCI
SCHEMBL7170288 0.92 KCNH2 (0.59) KCNH2PDE4AKMT2APRKCI
SCHEMBL7175610 0.91 KCNH2 (0.61) KCNH2PDE4AKMT2A
SCHEMBL7174788 0.90 KCNH2 (0.58) KCNH2PDE4AKMT2APRKCIPDE4B
SCHEMBL7176329 0.90 PDE4A (0.58) KCNH2PDE4AKMT2APDE4BPDE4C
Hydrochloric Acid SCHEMBL7169936 0.88 PDE4A (0.56) KCNH2PDE4AKMT2APRKCIPDE4B
SCHEMBL7171541 0.87 KCNH2 (0.52) KCNH2PDE4AKMT2APRKCIPDE4B
Hydrochloric Acid SCHEMBL7174489 0.87 KCNH2 (0.57) KCNH2PDE4AKMT2APRKCIPDE4B

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-6541480-B2 Controlling cytokines SUNTORY LIMITED (JP) 2003-04-01 US disclosed
US-6297248-B1 1-aryl-1,8-naphthylidin-4-one derivative as type IV phosphodiesterase inhibitor SUNTORY LIMITED (JP) 2001-10-02 US disclosed