SCHEMBL19488874

SCHEMBL19488874

C=C1CCN[C@@H]1c1nc2cc(-c3cnc(-c4ccc(NC(=O)[C@@H]5CCCN5)c(F)c4)o3)ccc2[nH]1

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SCN3A Q9NY46 2/20 0.34
▸ SCN9A Q15858 1/20 0.34
▸ DHODH Q02127 3/20 0.34
▸ GSK3B P49841 3/20 0.33
▸ DYRK1A Q13627 3/20 0.33
▸ WNT1 P04628 2/20 0.33
▸ ATR Q13535 2/20 0.33
▸ PSMB8 P28062 2/20 0.33
▸ JAK2 O60674 1/20 0.32
▸ TBK1 Q9UHD2 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ CCNE2 O96020 1/20 0.31
▸ CCNE1 P24864 1/20 0.31
▸ CDK2 P24941 1/20 0.31
▸ ROCK2 O75116 2/20 0.31
▸ IKBKB O14920 1/20 0.31
▸ CHUK O15111 1/20 0.31
▸ MELK Q14680 1/20 0.31
▸ HPSE Q9Y251 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
SCHEMBL12403445 0.89 SCN3A (0.37) SCN3ASCN9ADHODHGSK3BDYRK1A
SCHEMBL19488327 0.85 DHODH (0.35) SCN3ASCN9ADHODHGSK3BDYRK1A
SCHEMBL19488875 0.80 DHODH (0.35) SCN3ASCN9ADHODHGSK3BDYRK1A
SCHEMBL12405016 0.78 DHODH (0.39) SCN3ASCN9ADHODHGSK3BDYRK1A
SCHEMBL12403439 0.77 SCN3A (0.47) SCN3ASCN9ADHODHGSK3BDYRK1A
SCHEMBL10201555 0.76 DHODH (0.43) SCN3ASCN9ADHODHPSMB8IKBKB
SCHEMBL12403437 0.76 DHODH (0.43) SCN3ASCN9ADHODHPSMB8IKBKB
SCHEMBL12406273 0.73 PTGES (0.38) SCN3ASCN9ADHODHGSK3BDYRK1A
SCHEMBL19488855 0.73 USP30 (0.40) JAK2
SCHEMBL19488330 0.72 DHODH (0.32) DHODH

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
Send feedback