SCHEMBL30221613

SCHEMBL30221613

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

nearest known ligand 0.65

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 19/20 0.65
▸ KCNH2 Q12809 3/20 0.65
▸ IGF1R P08069 2/20 0.65
▸ CDK7 P50613 1/20 0.57
▸ CCNH P51946 1/20 0.57

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
SCHEMBL24900840 1.00 EGFR (0.65) EGFRKCNH2IGF1RCDK7CCNH
SCHEMBL24900518 0.92 EGFR (0.60) EGFRKCNH2IGF1RCDK7CCNH
SCHEMBL30221585 0.92 EGFR (0.60) EGFRKCNH2IGF1RCDK7CCNH
SCHEMBL30221338 0.91 EGFR (0.60) EGFRKCNH2IGF1R
SCHEMBL24900772 0.91 EGFR (0.60) EGFRKCNH2IGF1R
SCHEMBL24900821 0.91 EGFR (0.59) EGFRKCNH2IGF1RCDK7CCNH
SCHEMBL30221363 0.90 EGFR (0.60) EGFRKCNH2IGF1RCDK7CCNH
SCHEMBL24900634 0.90 EGFR (0.60) EGFRKCNH2IGF1RCDK7CCNH
SCHEMBL24900795 0.90 EGFR (0.64) EGFRKCNH2IGF1R
SCHEMBL24900525 0.89 EGFR (0.52) EGFRKCNH2IGF1RCDK7CCNH

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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