SCHEMBL23223129

SCHEMBL23223129

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 20/20 1.00
▸ KIT P10721 1/20 0.72
▸ FLT3 P36888 1/20 0.72
▸ EGFR P00533 1/20 0.71
▸ LCK P06239 1/20 0.71
▸ ITK Q08881 1/20 0.71

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
SCHEMBL19638144 1.00 BTK (1.00) BTKKITFLT3EGFRLCK
SCHEMBL30615724 1.00 BTK (1.00) BTKKITFLT3EGFRLCK
SCHEMBL17951513 1.00 BTK (1.00) BTKKITFLT3EGFRLCK
SCHEMBL19638145 1.00 BTK (1.00) BTKKITFLT3EGFRLCK
SCHEMBL30615734 1.00 BTK (1.00) BTKKITFLT3EGFRLCK
SCHEMBL19638194 0.95 BTK (0.91) BTKKITFLT3
SCHEMBL19638196 0.95 BTK (0.91) BTKKITFLT3
SCHEMBL19649181 0.95 BTK (0.91) BTKKITFLT3
SCHEMBL30615729 0.95 BTK (0.91) BTKKITFLT3
SCHEMBL19813126 0.93 BTK (0.86) BTKKITFLT3EGFRLCK

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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