SCHEMBL24900434

SCHEMBL24900434

COc1cc(N2CCN(C(C)=O)CC2)ccc1Nc1nc(Nc2cccc(N)c2)ncc1F

nearest known ligand 0.81

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ ALK Q9UM73 19/20 0.81
▸ EGFR P00533 1/20 0.68

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
SCHEMBL30221275 1.00 ALK (0.81) ALKEGFR
SCHEMBL16752910 0.90 ALK (1.00) ALK
SCHEMBL16769538 0.90 ALK (1.00) ALK
SCHEMBL30221574 0.90 ALK (0.82) ALKEGFR
SCHEMBL29229096 0.88 ALK (0.76) ALKEGFR
SCHEMBL30221317 0.88 ALK (0.76) ALKEGFR
SCHEMBL28584062 0.88 EGFR (0.80) ALKEGFR
SCHEMBL16752989 0.87 ALK (1.00) ALK
SCHEMBL17531020 0.87 ALK (0.83) ALKEGFR
SCHEMBL18334855 0.87 ALK (0.93) ALK

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-2023287783-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF ACEA Therapeutics, Inc. (US) 2023-01-19 — — WO disclosed
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