SCHEMBL17429580

SCHEMBL17429580

Cc1nc(N2CCOCC2)ccc1Nc1ncc2scc(-c3ccccc3C(F)(F)F)c2n1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PTK2 Q05397 12/20 0.44
▸ CNR2 P34972 2/20 0.43
▸ TTK P33981 2/20 0.41
▸ ATR Q13535 1/20 0.41
▸ ATRIP Q8WXE1 1/20 0.41
▸ ULK1 O75385 1/20 0.40
▸ PIK3CD O00329 1/20 0.38
▸ PIK3C2B O00750 1/20 0.38
▸ MTOR P42345 1/20 0.38
▸ PIK3CG P48736 1/20 0.38
▸ CLK2 P49760 1/20 0.38
▸ GSK3A P49840 1/20 0.38
▸ GSK3B P49841 1/20 0.38
▸ CSNK2A1 P68400 1/20 0.38
▸ STK3 Q13188 1/20 0.38
▸ HIPK4 Q8NE63 1/20 0.38
▸ CLK4 Q9HAZ1 1/20 0.38

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
SCHEMBL1682845 0.85 PTK2 (0.49) PTK2CNR2ATRATRIPMTOR
SCHEMBL1682818 0.75 PTK2 (0.61) PTK2CSNK2A1
SCHEMBL17429717 0.69 TTK (0.48) PTK2TTKATRATRIPCSNK2A1
SCHEMBL20336327 0.68 PTK2 (0.63) PTK2CSNK2A1
SCHEMBL1674012 0.68 PTK2 (0.65) PTK2CSNK2A1
SCHEMBL29523133 0.68 PTK2 (0.62) PTK2CSNK2A1
SCHEMBL29523377 0.68 PTK2 (0.65) PTK2CSNK2A1
SCHEMBL1674147 0.68 PTK2 (0.62) PTK2CSNK2A1
SCHEMBL17429716 0.68 PTK2 (0.51) PTK2TTKPIK3CDPIK3CG
SCHEMBL1682813 0.67 PTK2 (0.64) PTK2ATRATRIPCSNK2A1

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
WO-2016006921-A1 ACUTE MYELOID LEUKEMIA TARGETED THERAPEUTIC AGENT WITH REDUCED DRUG SIDE EFFECTS 한국과학기술연구원 2016-01-14 — — WO disclosed
Send feedback