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SCHEMBL21759921

SCHEMBL21759921

CC(C)NC(=O)C1CCC(n2c(NC(=O)c3ccc(F)cc3)nc3ccc(CN4CCCCC4)cc32)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ALK Q9UM73 19/20 1.00
▸ INSR P06213 2/20 0.84
▸ LCK P06239 2/20 0.84
▸ LTK P29376 2/20 0.84
▸ AXL P30530 2/20 0.84
▸ IRAK1 P51617 2/20 0.84
▸ MAP4K2 Q12851 2/20 0.84
▸ MERTK Q12866 2/20 0.84
▸ NTRK1 P04629 1/20 0.84
▸ FLT3 P36888 1/20 0.84
▸ SPR P35270 2/20 0.81

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
SCHEMBL24046489 1.00 ALK (1.00) ALKINSRLCKLTKAXL
SCHEMBL21135589 0.94 ALK (0.88) ALKINSRLCKLTKAXL
SCHEMBL23915691 0.94 ALK (0.88) ALKINSRLCKLTKAXL
SCHEMBL10270586 0.92 ALK (0.85) ALKINSRLCKLTKAXL
SCHEMBL573407 0.92 ALK (1.00) ALKINSRLCKLTKAXL
SCHEMBL573406 0.92 ALK (1.00) ALKINSRLCKLTKAXL
SCHEMBL23810096 0.92 ALK (0.90) ALKINSRLCKLTKAXL
SCHEMBL23810121 0.92 ALK (0.90) ALKINSRLCKLTKAXL
SCHEMBL21206279 0.91 ALK (1.00) ALKINSRLCKLTKAXL
SCHEMBL24046243 0.91 ALK (1.00) ALKINSRLCKLTKAXL

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
WO-2020038415-A1 TROPOMYOSIN RECEPTOR KINASE (TRK) DEGRADATION COMPOUNDS AND METHODS OF USE CULLGEN (SHANGHAI), INC. (CN) 2020-02-27 — — WO disclosed
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