SCHEMBL7966470

SCHEMBL7966470

Cc1cnccc1NC(=O)c1cn([C@H]2CC[C@H](O)CC2)c2ncccc2c1=O

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.42
KCNH2 Q12809 5/20 0.42
PDE4A P27815 4/20 0.41
TYK2 P29597 2/20 0.38
ELANE P08246 1/20 0.38
IKBKE Q14164 2/20 0.38
TBK1 Q9UHD2 2/20 0.38
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37
KDM4E B2RXH2 1/20 0.37
KDM6B O15054 1/20 0.37
KDM5A P29375 1/20 0.37
KDM4C Q9H3R0 1/20 0.37
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36
SYK P43405 1/20 0.36
IRAK4 Q9NWZ3 1/20 0.36

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
SCHEMBL7966474 1.00 PKM (0.42) PKMKCNH2PDE4ATYK2ELANE
SCHEMBL7966418 0.96 PKM (0.44) PKMKCNH2PDE4ATYK2ELANE
SCHEMBL7966583 0.89 KCNH2 (0.49) PKMKCNH2PDE4ATYK2ELANE
SCHEMBL7960320 0.89 KCNH2 (0.49) PKMKCNH2PDE4ATYK2ELANE
SCHEMBL7962911 0.85 HTT (0.47) PKMKCNH2PDE4AELANEKDM4E
SCHEMBL7962912 0.85 HTT (0.47) PKMKCNH2PDE4AELANEKDM4E
SCHEMBL7960294 0.85 CNR1 (0.48) PKMKCNH2PDE4ATYK2ELANE
SCHEMBL7962005 0.85 CNR1 (0.48) PKMKCNH2PDE4ATYK2ELANE
SCHEMBL7966298 0.85 CNR1 (0.48) PKMKCNH2PDE4ATYK2ELANE
SCHEMBL7951623 0.83 KCNH2 (0.37) PKMKCNH2PDE4AELANEIKBKE

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
US-6331548-B1 PREVENTION OR TREATMENT OF CYTOKINE RELATED DISEASES SUNTORY LIMITED (JP) 2001-12-18 US disclosed