SCHEMBL25613554

SCHEMBL25613554

Cc1ncc2ccc(-c3cnn(C)c3)cc2n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAP4K3 Q8IVH8 1/20 0.51
▸ MAP4K1 Q92918 1/20 0.51
▸ TTK P33981 2/20 0.49
▸ PIK3CD O00329 1/20 0.48
▸ PIK3CA P42336 1/20 0.48
▸ PIK3CB P42338 1/20 0.48
▸ PI4KA P42356 1/20 0.48
▸ PIK3CG P48736 1/20 0.48
▸ PI4KB Q9UBF8 1/20 0.48
▸ DYRK1A Q13627 10/20 0.47
▸ GSK3B P49841 9/20 0.47
▸ WNT1 P04628 5/20 0.47
▸ ABL1 P00519 1/20 0.47
▸ CLK2 P49760 2/20 0.46
▸ CLK3 P49761 2/20 0.46
▸ ACVR1 Q04771 1/20 0.46
▸ MET P08581 1/20 0.45
▸ ALK Q9UM73 1/20 0.44
▸ JUN P05412 2/20 0.44
▸ MAPK8 P45983 2/20 0.44

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
SCHEMBL20951302 0.84 PIK3CD (0.53) MAP4K3MAP4K1TTKPIK3CDPIK3CA
SCHEMBL25613558 0.81 MAP4K1 (0.52) MAP4K3MAP4K1TTKPIK3CDPIK3CA
SCHEMBL20948560 0.79 DYRK1A (0.62) MAP4K3MAP4K1DYRK1AGSK3BWNT1
SCHEMBL31071772 0.79 PIK3CD (0.48) MAP4K3MAP4K1TTKPIK3CDPIK3CA
SCHEMBL31522654 0.77 PIK3CD (0.56) MAP4K3MAP4K1TTKPIK3CDPIK3CA
SCHEMBL25613555 0.77 TTK (0.42) MAP4K1TTK
SCHEMBL27391685 0.76 PIK3CD (0.48) TTKPIK3CDPIK3CAPIK3CBPI4KA
SCHEMBL13355086 0.76 MET (0.62) PIK3CDPIK3CAPIK3CBPI4KAPIK3CG
SCHEMBL25646429 0.74 GSK3B (0.57) DYRK1AGSK3BWNT1ABL1CLK2
SCHEMBL25419916 0.74 LRRK2 (0.52) PIK3CDPIK3CAPIK3CBPI4KAPIK3CG

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-2023107722-A1 COMPOUNDS FOR USE IN TREATING NEUROLOGICAL DISORDERS PROTHENA BIOSCIENCES LIMITED (IE) 2023-06-15 — — WO disclosed
WO-2023107714-A2 METHODS FOR TREATING NEUROLOGICAL DISORDERS PROTHENA BIOSCIENCES LIMITED (IE) 2023-06-15 — — WO disclosed
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