SCHEMBL23223098

SCHEMBL23223098

CCC(C)(C)NN1CCCC(n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)C1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 20/20 0.67
▸ LCK P06239 3/20 0.66
▸ LYN P07948 3/20 0.66
▸ FLT3 P36888 2/20 0.63
▸ KIT P10721 1/20 0.63
▸ NUDT14 O95848 2/20 0.62
▸ NUDT5 Q9UKK9 2/20 0.62
▸ EGFR P00533 4/20 0.61
▸ ITK Q08881 3/20 0.61
▸ TEC P42680 3/20 0.61
▸ BMX P51813 3/20 0.61
▸ TXK P42681 2/20 0.61
▸ FGFR2 P21802 2/20 0.61
▸ RIPK2 O43353 1/20 0.61
▸ NR1I2 O75469 1/20 0.61
▸ SLC22A3 O75751 1/20 0.61
▸ LATS1 O95835 1/20 0.61
▸ ABL1 P00519 1/20 0.61
▸ ERBB2 P04626 1/20 0.61
▸ FYN P06241 1/20 0.61

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
SCHEMBL21897744 0.88 BTK (0.74) BTKLCKLYNFLT3KIT
SCHEMBL21852372 0.88 BTK (0.74) BTKLCKLYNFLT3KIT
SCHEMBL24827788 0.86 BTK (0.70) BTKLCKLYNFLT3KIT
SCHEMBL13861660 0.84 BTK (0.74) BTKLCKLYNFLT3KIT
SCHEMBL23226086 0.84 BTK (0.74) BTKLCKLYNFLT3KIT
SCHEMBL13861659 0.84 BTK (0.74) BTKLCKLYNFLT3KIT
SCHEMBL23226083 0.84 BTK (0.74) BTKLCKLYNFLT3KIT
SCHEMBL24827859 0.83 BTK (0.68) BTKLCKLYNFLT3KIT
SCHEMBL22737178 0.83 BTK (0.80) BTKLCKLYNFLT3KIT
SCHEMBL25068925 0.83 BTK (0.80) BTKLCKLYNFLT3KIT

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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