SCHEMBL19649380

SCHEMBL19649380

CC(O)C(N)C(=O)N1CCCC(n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 20/20 1.00
▸ EGFR P00533 4/20 0.76
▸ ITK Q08881 3/20 0.76
▸ LCK P06239 2/20 0.76
▸ TEC P42680 3/20 0.74
▸ BMX P51813 3/20 0.74
▸ TXK P42681 2/20 0.74
▸ LYN P07948 2/20 0.74
▸ FGFR2 P21802 2/20 0.74
▸ RIPK2 O43353 1/20 0.74
▸ NR1I2 O75469 1/20 0.74
▸ SLC22A3 O75751 1/20 0.74
▸ LATS1 O95835 1/20 0.74
▸ NUDT14 O95848 1/20 0.74
▸ ABL1 P00519 1/20 0.74
▸ ERBB2 P04626 1/20 0.74
▸ FYN P06241 1/20 0.74
▸ PGR P06401 1/20 0.74
▸ CSF1R P07333 1/20 0.74
▸ YES1 P07947 1/20 0.74

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
SCHEMBL17951540 1.00 BTK (1.00) BTKEGFRITKLCKTEC
SCHEMBL19649266 0.95 BTK (1.00) BTKEGFRITKLCKTEC
SCHEMBL19829260 0.95 BTK (1.00) BTKEGFRITKLCKTEC
SCHEMBL19638204 0.94 BTK (1.00) BTKEGFRITKLCKTEC
SCHEMBL17951543 0.94 BTK (1.00) BTKEGFRITKLCKTEC
SCHEMBL30615739 0.94 BTK (1.00) BTKEGFRITKLCKTEC
SCHEMBL17951509 0.94 BTK (1.00) BTKEGFRITKLCKTEC
SCHEMBL3362994 0.94 BTK (1.00) BTKEGFRITKLCKTEC
SCHEMBL19831575 0.93 BTK (0.87) BTKEGFRITKLCKTEC
SCHEMBL25735923 0.93 BTK (0.89) BTKEGFRITKLCKTEC

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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