SCHEMBL23223317

SCHEMBL23223317

NCCCCCCCC(CNC=O)n1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NUDT14 O95848 2/20 0.50
▸ NUDT5 Q9UKK9 2/20 0.50
▸ BTK Q06187 19/20 0.48
▸ EGFR P00533 7/20 0.47
▸ LCK P06239 6/20 0.47
▸ ITK Q08881 6/20 0.47
▸ JAK3 P52333 5/20 0.47
▸ LYN P07948 3/20 0.46
▸ TEC P42680 3/20 0.44
▸ BMX P51813 3/20 0.44
▸ TXK P42681 2/20 0.44
▸ FGFR2 P21802 2/20 0.44
▸ RIPK2 O43353 1/20 0.44
▸ NR1I2 O75469 1/20 0.44
▸ SLC22A3 O75751 1/20 0.44
▸ LATS1 O95835 1/20 0.44
▸ ABL1 P00519 1/20 0.44
▸ ERBB2 P04626 1/20 0.44
▸ FYN P06241 1/20 0.44
▸ PGR P06401 1/20 0.44

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
SCHEMBL27586498 0.79 NUDT14 (0.58) NUDT14NUDT5BTKEGFRLCK
SCHEMBL19402982 0.78 SRC (0.42) BTKEGFRLCKITKJAK3
SCHEMBL17375372 0.75 BTK (0.53) NUDT14NUDT5BTKEGFRLCK
SCHEMBL25069027 0.74 SRC (0.76) NUDT14NUDT5EGFRLCKABL1
SCHEMBL24458025 0.73 BTK (0.69) NUDT14NUDT5BTKEGFRLCK
SCHEMBL19176242 0.72 NUDT14 (0.58) NUDT14NUDT5BTKEGFRLCK
SCHEMBL1614407 0.72 SRC (0.49) NUDT14NUDT5BTKEGFRLCK
SCHEMBL17723004 0.72 SRC (0.52) NUDT14NUDT5BTKEGFRLCK
SCHEMBL16078942 0.71 BTK (0.53) NUDT14NUDT5BTKEGFRLCK
SCHEMBL13861437 0.71 BTK (0.72) NUDT14NUDT5BTKEGFRLCK

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
EP-3248979-B1 NOVEL INHIBITOR OF FLT3 KINASE AND USE THEREOF HEFEI INST PHYSICAL SCI CAS (CN) 2021-04-14 — — EP disclosed
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