SCHEMBL6431415

SCHEMBL6431415

Nc1ncnc2c1c(-c1ccc(Oc3ccccc3)cc1)nn2-c1ccc(CNCCO)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SRC P12931 10/20 0.58
▸ EGFR P00533 5/20 0.58
▸ CSK P41240 3/20 0.58
▸ ABL1 P00519 2/20 0.58
▸ ABL2 P42684 2/20 0.58
▸ CDK1 P06493 1/20 0.58
▸ BTK Q06187 13/20 0.56
▸ NUDT14 O95848 2/20 0.55
▸ NUDT5 Q9UKK9 2/20 0.55
▸ LCK P06239 5/20 0.51
▸ ITK Q08881 2/20 0.51
▸ JAK3 P52333 1/20 0.51
▸ LYN P07948 5/20 0.50
▸ TEK Q02763 1/20 0.49
▸ KDR P35968 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

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
SCHEMBL6451355 0.94 BTK (0.54) SRCEGFRCSKABL1ABL2
SCHEMBL4870460 0.89 NUDT14 (0.56) SRCEGFRCSKABL1ABL2
SCHEMBL4865119 0.88 NUDT14 (0.55) SRCEGFRBTKNUDT14NUDT5
SCHEMBL4863506 0.88 NUDT14 (0.54) SRCEGFRCSKABL1ABL2
SCHEMBL5800505 0.87 SRC (0.63) SRCEGFRCSKABL1ABL2
SCHEMBL6430984 0.85 NUDT14 (0.55) SRCEGFRCSKBTKNUDT14
SCHEMBL4860031 0.83 BTK (0.56) SRCEGFRCSKBTKNUDT14
SCHEMBL25068862 0.81 NUDT14 (0.68) SRCEGFRCSKABL1BTK
SCHEMBL16701418 0.81 BTK (0.67) SRCEGFRCSKBTKNUDT14
SCHEMBL4820446 0.81 EGFR (0.62) SRCEGFRCSKABL1BTK

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
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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