SCHEMBL15764677

SCHEMBL15764677

O=C(Nc1ccc2[nH]ncc2c1)c1cccc(C(F)(F)F)c1

nearest known ligand 0.83

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 4/20 0.73
▸ RAB9A P51151 4/20 0.73
▸ DYRK3 O43781 1/20 0.73
▸ ROCK2 O75116 1/20 0.73
▸ MAP4K4 O95819 1/20 0.73
▸ RPS6KB1 P23443 1/20 0.73
▸ CLK2 P49760 1/20 0.73
▸ CSNK2A1 P68400 1/20 0.73
▸ ROCK1 Q13464 1/20 0.73
▸ DYRK1A Q13627 1/20 0.73
▸ CLK4 Q9HAZ1 1/20 0.73
▸ MKNK2 Q9HBH9 1/20 0.73
▸ JAK2 O60674 1/20 0.70
▸ DDR2 Q16832 4/20 0.68
▸ MEN1 O00255 1/20 0.66
▸ POLB P06746 1/20 0.66
▸ KMT2A Q03164 1/20 0.66
▸ JAK3 P52333 1/20 0.63

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
SCHEMBL15764676 0.84 NPC1 (1.00) NPC1RAB9ADYRK3ROCK2MAP4K4
SCHEMBL3380296 0.82 NPC1 (1.00) NPC1RAB9ADYRK3ROCK2MAP4K4
SCHEMBL5415117 0.82 MAOB (0.80) NPC1RAB9ADYRK3ROCK2MAP4K4
SCHEMBL15764674 0.82 ROCK2 (0.75) NPC1RAB9ADYRK3ROCK2MAP4K4
SCHEMBL15764661 0.82 NPC1 (0.74) NPC1RAB9ADYRK3ROCK2MAP4K4
SCHEMBL16834423 0.81 NPC1 (0.60) NPC1RAB9ADYRK3ROCK2MAP4K4
SCHEMBL6168385 0.81 ESR1 (0.82) NPC1RAB9AMEN1POLBKMT2A
SCHEMBL29099857 0.81 MEN1 (0.71) NPC1RAB9ADYRK3ROCK2MAP4K4
SCHEMBL13198179 0.81 DDR2 (1.00) DDR2JAK3
SCHEMBL13198188 0.80 DDR2 (0.70) DDR2JAK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9951316-B2 Enhancers of induced pluripotent stem cell reprogramming CITY OF HOPE (US) 2018-04-24 — — US disclosed
US-20150191701-A1 ENHANCERS OF INDUCED PLURIPOTENT STEM CELL REPROGRAMMING CITY OF HOPE 2015-07-09 — — US disclosed
US-8962322-B2 Enhancers of induced pluripotent stem cell reprogramming CITY OF HOPE 2015-02-24 — — US disclosed
US-20140154805-A1 ENHANCERS OF INDUCED PLURIPOTENT STEM CELL REPROGRAMMING CITY OF HOPE (US) 2014-06-05 — — US disclosed
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