SCHEMBL19488543

SCHEMBL19488543

C#CCCN[C@@H](C)c1nc2cc(-c3cnc(-c4ccc(C)c(NC(=O)[C@@H]5CCCN5)c4)o3)ccc2[nH]1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DHODH Q02127 2/20 0.34
▸ ATR Q13535 2/20 0.33
▸ GSK3B P49841 4/20 0.32
▸ DYRK1A Q13627 4/20 0.32
▸ WNT1 P04628 3/20 0.32
▸ SCN3A Q9NY46 2/20 0.32
▸ SCN9A Q15858 1/20 0.32
▸ BRAF P15056 2/20 0.32
▸ CCNE2 O96020 1/20 0.32
▸ CCNE1 P24864 1/20 0.32
▸ CDK2 P24941 1/20 0.32
▸ PSMB8 P28062 1/20 0.32
▸ TP53 P04637 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ THRB P10828 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ TLR9 Q9NR96 2/20 0.31
▸ TLR8 Q9NR97 2/20 0.31
▸ TLR7 Q9NYK1 2/20 0.31
▸ PIM1 P11309 1/20 0.31

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
SCHEMBL19488871 0.91 DHODH (0.40) DHODHATRSCN3ASCN9ABRAF
SCHEMBL12405016 0.80 DHODH (0.39) DHODHATRGSK3BDYRK1AWNT1
SCHEMBL19488545 0.80 DHODH (0.36) DHODHATRGSK3BDYRK1AWNT1
SCHEMBL19488335 0.72 DHODH (0.32) DHODHTP53MAPTTHRBSMN1; SMN2
SCHEMBL12403441 0.71 PRCP (0.37) —
SCHEMBL19488875 0.71 DHODH (0.35) DHODHATRGSK3BDYRK1AWNT1
SCHEMBL12403445 0.70 SCN3A (0.37) DHODHATRGSK3BDYRK1AWNT1
SCHEMBL19488330 0.70 DHODH (0.32) DHODH
SCHEMBL19488872 0.69 SCN3A (0.43) DHODHGSK3BDYRK1AWNT1SCN3A
SCHEMBL24731265 0.69 PSMB8 (0.43) DHODHSCN3ASCN9ABRAFPSMB8

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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