SCHEMBL4865119

SCHEMBL4865119

CN(C)CCNCc1ccc(-n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)cc1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ NUDT14 O95848 2/20 0.55
▸ NUDT5 Q9UKK9 2/20 0.55
▸ BTK Q06187 14/20 0.54
▸ EGFR P00533 5/20 0.53
▸ SRC P12931 2/20 0.53
▸ LCK P06239 5/20 0.50
▸ ITK Q08881 4/20 0.50
▸ JAK3 P52333 2/20 0.50
▸ LYN P07948 1/20 0.48
▸ PIK3CD O00329 1/20 0.47
▸ PIK3CA P42336 1/20 0.47
▸ PIK3CB P42338 1/20 0.47
▸ PIK3CG P48736 1/20 0.47
▸ PRKDC P78527 1/20 0.47
▸ TNK2 Q07912 1/20 0.47
▸ KIT P10721 1/20 0.46
▸ FLT3 P36888 1/20 0.46
▸ MCHR1 Q99705 1/20 0.45

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
SCHEMBL4870460 0.89 NUDT14 (0.56) NUDT14NUDT5BTKEGFRSRC
SCHEMBL6431415 0.88 SRC (0.58) NUDT14NUDT5BTKEGFRSRC
SCHEMBL4863506 0.87 NUDT14 (0.54) NUDT14NUDT5BTKEGFRSRC
SCHEMBL6451355 0.86 BTK (0.54) NUDT14NUDT5BTKEGFRSRC
SCHEMBL6433095 0.86 NUDT14 (0.57) NUDT14NUDT5BTKEGFRSRC
SCHEMBL6434937 0.84 NUDT14 (0.55) NUDT14NUDT5BTKEGFRSRC
SCHEMBL5800505 0.81 SRC (0.63) NUDT14NUDT5BTKEGFRSRC
SCHEMBL25068862 0.81 NUDT14 (0.68) NUDT14NUDT5BTKEGFRSRC
SCHEMBL6430984 0.81 NUDT14 (0.55) NUDT14NUDT5BTKEGFRSRC
SCHEMBL4860031 0.79 BTK (0.56) NUDT14NUDT5BTKEGFRSRC

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-7332497-B2 As inhibitors of protein kinases ABBOTT GMBH & CO KG (DE) 2008-02-19 — — US disclosed
US-7332497-B2 As inhibitors of protein kinases ABBOTT GMBH & CO KG (DE) 2008-02-19 — — US disclosed
US-7332497-B2 As inhibitors of protein kinases ABBOTT GMBH & CO KG (DE) 2008-02-19 — — US disclosed
US-6921763-B2 Pyrazolopyrimidines as therapeutic agents ABBOTT LABORATORIES (US) 2005-07-26 — — US disclosed
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