SCHEMBL3469740

SCHEMBL3469740

c1cn2c(-c3ccc4c(c3)OCO4)cnc2c(NCC2CC2)n1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TTK P33981 13/20 0.59
▸ CLK1 P49759 3/20 0.50
▸ CLK2 P49760 3/20 0.50
▸ CLK3 P49761 3/20 0.50
▸ DYRK1A Q13627 3/20 0.50
▸ CLK4 Q9HAZ1 3/20 0.50
▸ DYRK1B Q9Y463 3/20 0.50
▸ RET P07949 1/20 0.46
▸ PIK3C2B O00750 1/20 0.45
▸ PIP4K2C Q8TBX8 1/20 0.45
▸ PI4KB Q9UBF8 1/20 0.45
▸ ADORA3 P0DMS8 1/20 0.45
▸ USP2 O75604 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ GRM2 Q14416 1/20 0.41

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
SCHEMBL3469485 0.84 TTK (0.57) TTKCLK1USP2MAPTKMT2A
SCHEMBL3469850 0.84 CLK4 (0.51) TTKCLK1CLK2DYRK1ACLK4
SCHEMBL3471979 0.83 TTK (0.61) TTKUSP2MAPTKMT2A
SCHEMBL5408543 0.82 FLT3 (0.49) TTKCLK4USP2MAPTKMT2A
SCHEMBL3469399 0.80 TTK (0.72) TTKADORA3
SCHEMBL3470503 0.80 MAPK8 (0.44) TTKADORA3MAPT
SCHEMBL3469537 0.79 FYN (0.51) TTKCLK1CLK2CLK3DYRK1A
SCHEMBL3469144 0.79 TTK (0.61) TTKADORA3
SCHEMBL12409236 0.77 ALDH1A1 (0.47) TTKCLK1CLK2DYRK1ACLK4
SCHEMBL3471655 0.77 FYN (0.59) TTKCLK4MAPTKMT2A

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-2010069684-A1 COMPOUNDS FOR TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY BIOMARIN IGA, LTD. (BS) 2010-06-24 — — WO claimed
WO-2010069684-A1 COMPOUNDS FOR TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY BIOMARIN IGA, LTD. (BS) 2010-06-24 — — WO disclosed
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