SCHEMBL29720306

SCHEMBL29720306

CCOc1cc(N2CCC(N3CCCCC3)CC2)ccc1Nc1nc(Nc2ccccc2S(=O)(=O)C(C)C)c2cn[nH]c2n1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FES P07332 3/20 0.72
▸ FLT3 P36888 3/20 0.72
▸ ALK Q9UM73 15/20 0.62
▸ INSR P06213 5/20 0.60
▸ TTK P33981 4/20 0.60
▸ FGFR1 P11362 2/20 0.60
▸ FGFR2 P21802 2/20 0.60
▸ FGFR4 P22455 2/20 0.60
▸ FGFR3 P22607 2/20 0.60
▸ BMPR1B O00238 2/20 0.60
▸ PLK4 O00444 2/20 0.60
▸ GAK O14976 2/20 0.60
▸ ERN1 O75460 2/20 0.60
▸ STK10 O94804 2/20 0.60
▸ ABL1 P00519 2/20 0.60
▸ EGFR P00533 2/20 0.60
▸ LCK P06239 2/20 0.60
▸ FYN P06241 2/20 0.60
▸ YES1 P07947 2/20 0.60
▸ IGF1R P08069 2/20 0.60

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
SCHEMBL4051190 1.00 FES (0.72) FESFLT3ALKINSRTTK
SCHEMBL3958582 0.91 FES (0.87) FESFLT3ALKINSRTTK
SCHEMBL12892763 0.88 ALK (0.77) FESFLT3ALKINSRTTK
SCHEMBL3953410 0.87 FES (0.82) FESFLT3ALKINSRTTK
SCHEMBL12781758 0.87 ALK (0.78) FESFLT3ALKINSRTTK
SCHEMBL4059104 0.85 ALK (0.64) FESFLT3ALKINSRTTK
SCHEMBL3954048 0.84 FES (1.00) FESFLT3ALKINSRTTK
SCHEMBL4045834 0.82 FES (0.84) FESFLT3ALKINSRTTK
SCHEMBL3950992 0.82 ZAP70 (0.63) FESFLT3ALKINSRTTK
SCHEMBL14866516 0.82 ALK (0.86) FESFLT3ALKINSRTTK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110234773-B Methods of treating cancer comprising fusion genes 匹兹堡大学联邦系统高等教育 2024-07-02 — — CN disclosed
US-20220290257-A1 METHODS OF TREATING CANCERS CONTAINING FUSION GENES UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2022-09-15 — — US disclosed
US-11384400-B2 Methods of treating cancers containing fusion genes University of Pittsburgh—of the Commonwealth System of Higher Education (US) 2022-07-12 — — US disclosed
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