SCHEMBL30221580

SCHEMBL30221580

CC(=O)Nc1cc(Nc2ncc(Cl)c(-c3cn(C)c4ccccc34)n2)ccc1NCCN(C)C

nearest known ligand 0.62

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 18/20 0.62
▸ CDK7 P50613 2/20 0.57
▸ CCNH P51946 2/20 0.57
▸ KCNH2 Q12809 2/20 0.54
▸ IGF1R P08069 1/20 0.54

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
SCHEMBL24900816 1.00 EGFR (0.62) EGFRCDK7CCNHKCNH2IGF1R
SCHEMBL24900843 0.90 EGFR (0.61) EGFRCDK7CCNHKCNH2IGF1R
SCHEMBL30221314 0.90 EGFR (0.61) EGFRCDK7CCNHKCNH2IGF1R
SCHEMBL30221505 0.89 EGFR (0.59) EGFRCDK7CCNHKCNH2IGF1R
SCHEMBL24900837 0.89 EGFR (0.59) EGFRCDK7CCNHKCNH2IGF1R
SCHEMBL24900840 0.88 EGFR (0.65) EGFRCDK7CCNHKCNH2IGF1R
SCHEMBL30221613 0.88 EGFR (0.65) EGFRCDK7CCNHKCNH2IGF1R
SCHEMBL24900518 0.86 EGFR (0.60) EGFRCDK7CCNHKCNH2IGF1R
SCHEMBL24900634 0.86 EGFR (0.60) EGFRCDK7CCNHKCNH2IGF1R
SCHEMBL30221585 0.86 EGFR (0.60) EGFRCDK7CCNHKCNH2IGF1R

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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