SCHEMBL7718563

SCHEMBL7718563

CCC[N]c1ncccn1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PLAU P00749 1/20 0.32
KCNA5 P22460 1/20 0.31
KCNH2 Q12809 1/20 0.31
KDM4E B2RXH2 2/20 0.30
LMNA P02545 2/20 0.30
NOS3 P29474 1/20 0.30
NOS1 P29475 1/20 0.30
NOS2 P35228 1/20 0.30
USP2 O75604 1/20 0.30
ALOX15 P16050 1/20 0.30
ALOX12 P18054 1/20 0.30
HTT P42858 1/20 0.30
NPC1 O15118 1/20 0.30
HSP90AA1 P07900 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL7713660 0.73 NOS3 (0.46) PLAUKCNA5KCNH2KDM4ELMNA
SCHEMBL609343 0.67 LMNA (0.36) KCNA5KCNH2KDM4ELMNANOS1
SCHEMBL7718559 0.67 CTDSP1 (0.33)
SCHEMBL2105197 0.64
SCHEMBL1673488 0.64
SCHEMBL5509601 0.63 NOS3 (0.41) LMNANOS3NOS1NOS2HTT
SCHEMBL4991454 0.63
SCHEMBL29919450 0.62 HDAC8 (0.39) KDM4ELMNANOS3NOS1NOS2
SCHEMBL2469365 0.62 HDAC8 (0.39) KDM4ELMNANOS3NOS1NOS2
SCHEMBL1352941 0.62 HSP90AA1 (0.39) PLAUKDM4ELMNANOS3NOS1

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
WO-2002087587-A2 4-AMINOSULFONYLQUINAZOLINES AND -QUINOLINES AS TYROSINE KINASE INHIBITORS CELLTECH R & D LIMITED (GB) 2002-11-07 WO disclosed