SCHEMBL19649305

SCHEMBL19649305

CN1CCN(CCC(=O)N2CCCC(n3nc(-c4ccc(Oc5ccccc5)cc4)c4c(N)ncnc43)C2)CC1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 20/20 0.78
▸ FLT3 P36888 2/20 0.76
▸ KIT P10721 1/20 0.76
▸ EGFR P00533 4/20 0.70
▸ ITK Q08881 3/20 0.70
▸ LCK P06239 2/20 0.70
▸ TEC P42680 3/20 0.70
▸ BMX P51813 3/20 0.70
▸ TXK P42681 2/20 0.70
▸ LYN P07948 2/20 0.70
▸ FGFR2 P21802 2/20 0.70
▸ BLK P51451 2/20 0.70
▸ RIPK2 O43353 1/20 0.70
▸ NR1I2 O75469 1/20 0.70
▸ SLC22A3 O75751 1/20 0.70
▸ LATS1 O95835 1/20 0.70
▸ NUDT14 O95848 1/20 0.70
▸ ABL1 P00519 1/20 0.70
▸ ERBB2 P04626 1/20 0.70
▸ FYN P06241 1/20 0.70

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
SCHEMBL19649301 1.00 BTK (0.78) BTKFLT3KITEGFRITK
SCHEMBL24938081 0.96 BTK (0.76) BTKFLT3KITEGFRITK
SCHEMBL17951588 0.93 BTK (0.79) BTKFLT3KITEGFRITK
SCHEMBL29157970 0.93 BTK (0.84) BTKFLT3KITEGFRITK
SCHEMBL1613582 0.93 BTK (0.84) BTKFLT3KITEGFRITK
SCHEMBL1613579 0.93 BTK (0.84) BTKFLT3KITEGFRITK
SCHEMBL12738785 0.93 BTK (0.84) BTKFLT3KITEGFRITK
SCHEMBL12713510 0.91 BTK (0.78) BTKFLT3KITEGFRITK
SCHEMBL19649286 0.90 BTK (0.84) BTKFLT3KITEGFRITK
SCHEMBL17951807 0.90 BTK (0.84) BTKFLT3KITEGFRITK

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-A1 NOVEL INHIBITOR OF FLT3 KINASE AND USE THEREOF Hefei Institutes of Physical Sicence, Chinese Academy of Sciences (CN) 2017-11-29 — — EP disclosed
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