SCHEMBL17951499

SCHEMBL17951499

Nc1ncnc2c1c(-c1ccc(Oc3ccccc3)cc1)nn2[C@@H]1CCCN(C(=O)CCc2ccccc2)C1

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 20/20 0.82
▸ FLT3 P36888 2/20 0.78
▸ KIT P10721 1/20 0.78
▸ EGFR P00533 4/20 0.74
▸ TEC P42680 3/20 0.74
▸ BMX P51813 3/20 0.74
▸ ITK Q08881 3/20 0.74
▸ TXK P42681 2/20 0.74
▸ LYN P07948 2/20 0.74
▸ FGFR2 P21802 2/20 0.74
▸ BLK P51451 2/20 0.74
▸ LCK P06239 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

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
SCHEMBL17951872 0.95 BTK (0.78) BTKFLT3KITEGFRTEC
SCHEMBL17951884 0.93 BTK (0.89) BTKFLT3KITEGFRTEC
SCHEMBL3363036 0.92 BTK (0.85) BTKFLT3KITEGFRTEC
SCHEMBL22625356 0.92 BTK (0.85) BTKFLT3KITEGFRTEC
SCHEMBL20204786 0.92 BTK (0.85) BTKFLT3KITEGFRTEC
SCHEMBL31615786 0.92 BTK (0.85) BTKFLT3KITEGFRTEC
SCHEMBL19649286 0.91 BTK (0.84) BTKFLT3KITEGFRTEC
SCHEMBL1613909 0.91 BTK (0.88) BTKFLT3KITEGFRTEC
SCHEMBL22625353 0.91 BTK (0.84) BTKFLT3KITEGFRTEC
SCHEMBL17951807 0.91 BTK (0.84) BTKFLT3KITEGFRTEC

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
EP-3248979-B1 NOVEL INHIBITOR OF FLT3 KINASE AND USE THEREOF HEFEI INST PHYSICAL SCI CAS (CN) 2021-04-14 — — EP disclosed
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
WO-2016115869-A1 NOVEL INHIBITOR OF FLT3 KINASE AND USE THEREOF 中国科学院合肥物质科学研究院 2016-07-28 — — WO disclosed
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