SCHEMBL4246552

SCHEMBL4246552

COc1cccc(Nc2ccc3[nH]ccc3c2)c1OC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAE1 Q13564 1/20 0.51
JAK2 O60674 2/20 0.49
NPC1 O15118 1/20 0.47
PABPC1 P11940 1/20 0.47
RAB9A P51151 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
MAOA P21397 2/20 0.45
MAOB P27338 2/20 0.45
TUBB4A P04350 1/20 0.45
TUBB P07437 1/20 0.45
TUBA3C P0DPH7 1/20 0.45
TUBA1B P68363 1/20 0.45
TUBA4A P68366 1/20 0.45
TUBB4B P68371 1/20 0.45
TUBB3 Q13509 1/20 0.45
TUBB2A Q13885 1/20 0.45
TUBB8 Q3ZCM7 1/20 0.45
TUBA3E Q6PEY2 1/20 0.45
TUBA1A Q71U36 1/20 0.45
TUBA1C Q9BQE3 1/20 0.45

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
SCHEMBL2988851 0.90 NPC1 (0.50) NAE1JAK2NPC1PABPC1RAB9A
SCHEMBL2980702 0.86 ULK1 (0.45) NAE1JAK2MAOAMAOBTUBB4A
SCHEMBL4245975 0.86 NAE1 (0.47) NAE1JAK2NPC1RAB9AMAOA
SCHEMBL2980622 0.84 NR4A2 (0.46) NAE1JAK2MAOAMAOBSYK
SCHEMBL2989022 0.83 JAK2 (0.41) NAE1JAK2MAOAMAOBSYK
SCHEMBL2984052 0.82 JAK2 (0.41) NAE1JAK2MAOAMAOBMAPK14
SCHEMBL17255750 0.81 EGFR (0.44) NAE1JAK2MAOAMAOBTUBB4A
SCHEMBL2975051 0.80 HTR1A (0.50) NAE1JAK2NPC1RAB9AULK1
SCHEMBL17255759 0.80 HTR1A (0.46) JAK2NPC1PABPC1RAB9AL3MBTL1
SCHEMBL2971367 0.79 IGF1R (0.54) NPC1PABPC1RAB9AL3MBTL1TUBB4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2029543-B1 SUBSTITUTED 3-CYANOPYRIDINES AS PROTEIN KINASE INHIBITORS WYETH LLC (US) 2015-11-18 EP disclosed
EP-2029543-A2 SUBSTITUTED 3-CYANOPYRIDINES AS PROTEIN KINASE INHIBITORS Wyeth (US) 2009-03-04 EP disclosed
WO-2007146376-A2 SUBSTITUTED 3-CYANOPYRIDINES AS PROTEIN KINASE INHIBITORS WYETH (US) 2007-12-21 WO disclosed