SCHEMBL19488872

SCHEMBL19488872

CCCNCc1nc2cc(-c3cnc(-c4ccc(NC(=O)[C@@H]5CCCN5)cc4)o3)ccc2[nH]1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SCN3A Q9NY46 3/20 0.43
▸ DHODH Q02127 2/20 0.43
▸ SCN9A Q15858 2/20 0.43
▸ PSMB8 P28062 2/20 0.39
▸ IKBKB O14920 2/20 0.38
▸ CHUK O15111 1/20 0.38
▸ JAK2 O60674 2/20 0.37
▸ PDGFRB P09619 2/20 0.37
▸ FLT3 P36888 2/20 0.37
▸ AAK1 Q2M2I8 2/20 0.37
▸ KIT P10721 1/20 0.37
▸ PDGFRA P16234 1/20 0.37
▸ FLT1 P17948 1/20 0.37
▸ RPS6KB1 P23443 1/20 0.37
▸ JAK1 P23458 1/20 0.37
▸ TYK2 P29597 1/20 0.37
▸ FLT4 P35916 1/20 0.37
▸ KDR P35968 1/20 0.37
▸ JAK3 P52333 1/20 0.37
▸ MAP3K9 P80192 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
SCHEMBL19488883 0.93 DHODH (0.41) SCN3ADHODHSCN9APSMB8AAK1
SCHEMBL19488545 0.90 DHODH (0.36) SCN3ADHODHSCN9APSMB8HDAC3
SCHEMBL19488875 0.89 DHODH (0.35) SCN3ADHODHSCN9APSMB8KDR
SCHEMBL19488329 0.86 HDAC3 (0.38) SCN3ADHODHSCN9AHDAC3HDAC4
SCHEMBL22352229 0.83 PSMB8 (0.43) SCN3ADHODHSCN9APSMB8IKBKB
SCHEMBL12403439 0.82 SCN3A (0.47) SCN3ADHODHSCN9APSMB8IKBKB
SCHEMBL19488871 0.78 DHODH (0.40) SCN3ADHODHSCN9APSMB8IKBKB
SCHEMBL14828738 0.78 SCN3A (0.59) SCN3ADHODHSCN9APSMB8IKBKB
SCHEMBL12489110 0.78 SCN3A (0.59) SCN3ADHODHSCN9APSMB8IKBKB
SCHEMBL19488647 0.77 KDM4E (0.45) —

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
EP-2601188-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-10-18 — — EP disclosed
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