SCHEMBL2561087

SCHEMBL2561087

O=C(Nc1ccc2[nH]nc(I)c2c1)c1ccsc1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 6/20 0.51
▸ JAK1 P23458 6/20 0.51
▸ KCNK3 O14649 1/20 0.49
▸ KCNK9 Q9NPC2 1/20 0.49
▸ ULK1 O75385 1/20 0.48
▸ HPGD P15428 1/20 0.48
▸ NPC1 O15118 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ LRRK2 Q5S007 4/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ ITK Q08881 2/20 0.43
▸ PARP1 P09874 1/20 0.42
▸ AURKA O14965 1/20 0.41
▸ AXL P30530 1/20 0.40

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
SCHEMBL2569096 0.78 TTK (0.60) HPGDNPC1RAB9AKMT2A
SCHEMBL14863599 0.77 JAK2 (0.51) JAK2JAK1ULK1ITKAURKA
SCHEMBL2565163 0.77 JAK2 (0.56) JAK2JAK1KCNK3ULK1HPGD
SCHEMBL2380312 0.77 CDK7 (0.45) JAK2JAK1KCNK3KCNK9HPGD
SCHEMBL2564735 0.76 ITK (0.55) JAK2JAK1HPGDKMT2AITK
SCHEMBL2582272 0.75 TTK (0.72) AURKA
SCHEMBL2564063 0.75 NPC1 (0.68) JAK2NPC1RAB9AKMT2A
SCHEMBL2555715 0.74 TTK (0.67) ULK1LRRK2KMT2AAURKA
SCHEMBL14863628 0.74 TTK (0.64) ULK1LRRK2KMT2AAURKA
SCHEMBL14863466 0.73 TTK (0.66) ULK1LRRK2KMT2AAURKA

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
WO-2011123937-A1 KINASE INHIBITORS AND METHOD OF TREATING CANCER WITH SAME UNIVERSITY HEALTH NETWORK (CA) 2011-10-13 — — WO disclosed
WO-2011123937-A1 KINASE INHIBITORS AND METHOD OF TREATING CANCER WITH SAME UNIVERSITY HEALTH NETWORK (CA) 2011-10-13 — — WO disclosed
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