SCHEMBL24826768

SCHEMBL24826768

CC(C)c1cnc(N2CC(CC(=O)O)C2)c2cnc(Cl)cc12

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 7/20 0.36
▸ FFAR4 Q5NUL3 9/20 0.34
▸ MAPK1 P28482 2/20 0.34
▸ RORC P51449 1/20 0.33

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
SCHEMBL30164881 1.00 EGFR (0.36) EGFRFFAR4MAPK1RORC
SCHEMBL30848775 0.88 EGFR (0.39) EGFRMAPK1RORC
SCHEMBL30164839 0.88 EGFR (0.39) EGFRMAPK1RORC
SCHEMBL30848793 0.88 EGFR (0.39) EGFRMAPK1
SCHEMBL24827270 0.88 EGFR (0.39) EGFRMAPK1
SCHEMBL24824604 0.88 EGFR (0.39) EGFRMAPK1RORC
SCHEMBL24824597 0.88 EGFR (0.39) EGFRMAPK1RORC
SCHEMBL24826154 0.87 EGFR (0.38) EGFRMAPK1
SCHEMBL30848810 0.87 EGFR (0.38) EGFRMAPK1
SCHEMBL24824609 0.86 EGFR (0.40) EGFR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117858872-A Heterocyclic EGFR inhibitors for the treatment of cancer 缆图药品公司 2024-04-09 — — CN disclosed
WO-2022271612-A1 HETEROCYCLIC EGFR INHIBITORS FOR USE IN THE TREATMENT OF CANCER BLUEPRINT MEDICINES CORPORATION (US) 2022-12-29 — — WO disclosed
Send feedback