SCHEMBL13797708

SCHEMBL13797708

CCNc1nc(Nc2ccc(N=Nc3ccccc3)cc2)nc(Nc2ccc(N=Nc3ccccc3)cc2C)n1

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ KCNH3 Q9ULD8 9/20 0.42
▸ RECQL P46063 1/20 0.38
▸ MCL1 Q07820 1/20 0.38
▸ NPC1 O15118 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL13797706 0.94 MEN1 (0.41) KCNH3RECQLMCL1NPC1RAB9A
SCHEMBL13797738 0.92 GAA (0.37) KCNH3NPC1CYP1A2CYP2C19RAB9A
SCHEMBL13201660 0.85 KCNH3 (0.38) KCNH3RECQLMCL1NPC1RAB9A
SCHEMBL13201659 0.81 MEN1 (0.40) KCNH3RECQLMCL1NPC1RAB9A
SCHEMBL12301036 0.81 KMT2A (0.46) NPC1RAB9A
SCHEMBL13201663 0.81 KMT2A (0.46) NPC1RAB9A
SCHEMBL13330296 0.77 MAPT (0.42) NPC1RAB9A
SCHEMBL13201664 0.77 TSHR (0.46) NPC1RAB9AL3MBTL1
SCHEMBL13201662 0.76 MAPT (0.34) NPC1
SCHEMBL7517592 0.76 MAPT (0.53) KCNH3RECQLMCL1NPC1RAB9A

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-7553358-B2 Ink jet ink, ink jet recording method, ink cartridge, recording unit and ink jet recording apparatus CANON KABUSHIKI KAISHA (JP) 2009-06-30 — — US disclosed
US-20080274285-A1 INK JET INK, INK JET RECORDING METHOD, INK CARTRIDGE, RECORDING UNIT AND INK JET RECORDING APPARATUS CANON KABUSHIKI KAISHA (JP) 2008-11-06 — — US disclosed
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