SCHEMBL23223138

SCHEMBL23223138

CC[C@@H](C)CC(O)N1CCC[C@@H](n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)C1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 20/20 0.68
▸ LCK P06239 3/20 0.63
▸ LYN P07948 2/20 0.63
▸ FLT3 P36888 2/20 0.62
▸ KIT P10721 1/20 0.62
▸ EGFR P00533 3/20 0.61
▸ ITK Q08881 2/20 0.61
▸ TEC P42680 2/20 0.61
▸ TXK P42681 2/20 0.61
▸ BMX P51813 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
▸ NUDT14 O95848 1/20 0.61
▸ ABL1 P00519 1/20 0.61
▸ ERBB2 P04626 1/20 0.61
▸ FYN P06241 1/20 0.61
▸ PGR P06401 1/20 0.61
▸ CSF1R P07333 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
SCHEMBL19831569 0.88 BTK (0.70) BTKLCKLYNFLT3KIT
SCHEMBL22625403 0.88 BTK (0.71) BTKLCKLYNFLT3KIT
SCHEMBL29316652 0.87 BTK (0.72) BTKLCKLYNFLT3EGFR
SCHEMBL24827796 0.87 BTK (0.74) BTKLCKLYNFLT3EGFR
SCHEMBL23409076 0.87 BTK (0.74) BTKLCKLYNFLT3EGFR
SCHEMBL19831572 0.85 BTK (0.67) BTKLCKLYNFLT3KIT
SCHEMBL19649205 0.85 BTK (0.80) BTKLCKLYNFLT3KIT
SCHEMBL17951498 0.85 BTK (0.80) BTKLCKLYNFLT3KIT
SCHEMBL30615730 0.84 BTK (0.75) BTKLCKLYNFLT3KIT
SCHEMBL19519589 0.84 BTK (0.71) BTKLCKLYNFLT3EGFR

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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