SCHEMBL30221377

SCHEMBL30221377

CC(=O)Nc1cc(Nc2ncc(C(F)(F)F)c(-c3cn(C)c4ccccc34)n2)ccc1N(CCN(C)C)C(C)=O

nearest known ligand 0.56

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 20/20 0.56
▸ KCNH2 Q12809 3/20 0.47
▸ IGF1R P08069 2/20 0.47

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
SCHEMBL24900468 1.00 EGFR (0.56) EGFRKCNH2IGF1R
SCHEMBL30221274 0.93 EGFR (0.58) EGFRKCNH2IGF1R
SCHEMBL24900573 0.93 EGFR (0.58) EGFRKCNH2IGF1R
SCHEMBL30221441 0.91 EGFR (0.55) EGFRKCNH2IGF1R
SCHEMBL24900697 0.91 EGFR (0.55) EGFRKCNH2IGF1R
SCHEMBL24900592 0.90 EGFR (0.46) EGFRKCNH2IGF1R
SCHEMBL31503155 0.90 EGFR (0.46) EGFRKCNH2IGF1R
SCHEMBL24900735 0.90 EGFR (0.46) EGFRKCNH2IGF1R
SCHEMBL24900798 0.88 EGFR (0.48) EGFRKCNH2IGF1R
SCHEMBL30221464 0.88 EGFR (0.48) EGFRKCNH2IGF1R

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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