SCHEMBL4860031

SCHEMBL4860031

Nc1ncnc2c1c(-c1ccc(Oc3ccccc3)cc1)nn2-c1ccc(CN(CCO)CCO)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 15/20 0.56
▸ SRC P12931 7/20 0.55
▸ EGFR P00533 4/20 0.55
▸ NUDT14 O95848 2/20 0.55
▸ NUDT5 Q9UKK9 2/20 0.55
▸ LCK P06239 6/20 0.52
▸ ITK Q08881 3/20 0.52
▸ JAK3 P52333 2/20 0.52
▸ LYN P07948 5/20 0.50
▸ TEK Q02763 1/20 0.49
▸ FYN P06241 4/20 0.47
▸ FLT3 P36888 4/20 0.47
▸ PTK6 Q13882 4/20 0.47
▸ HCK P08631 3/20 0.47
▸ FGR P09769 3/20 0.47
▸ MAP2K1 Q02750 3/20 0.47
▸ BRAF P15056 3/20 0.47
▸ YES1 P07947 2/20 0.47
▸ BLK P51451 2/20 0.47
▸ BMX P51813 2/20 0.47

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
SCHEMBL5800505 0.87 SRC (0.63) BTKSRCEGFRNUDT14NUDT5
SCHEMBL6433095 0.84 NUDT14 (0.57) BTKSRCEGFRNUDT14NUDT5
SCHEMBL6431415 0.83 SRC (0.58) BTKSRCEGFRNUDT14NUDT5
SCHEMBL6434937 0.83 NUDT14 (0.55) BTKSRCEGFRNUDT14NUDT5
SCHEMBL25068862 0.81 NUDT14 (0.68) BTKSRCEGFRNUDT14NUDT5
SCHEMBL6451355 0.81 BTK (0.54) BTKSRCEGFRNUDT14NUDT5
SCHEMBL4826570 0.80 SRC (0.67) BTKSRCEGFRNUDT14NUDT5
SCHEMBL6430984 0.79 NUDT14 (0.55) BTKSRCEGFRNUDT14NUDT5
SCHEMBL4865119 0.79 NUDT14 (0.55) BTKSRCEGFRNUDT14NUDT5
SCHEMBL25068860 0.79 NUDT14 (0.64) BTKSRCEGFRNUDT14NUDT5

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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