SCHEMBL30018868

SCHEMBL30018868

CP(C)(=S)c1c(Nc2nc(Cl)ncc2Br)ccc2nccnc12

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 18/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ IGF1R P08069 1/20 0.36

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
SCHEMBL22588492 1.00 EGFR (0.40) EGFRMEN1KMT2AIGF1R
SCHEMBL29747109 0.89 EGFR (0.49) EGFR
SCHEMBL22025651 0.89 EGFR (0.49) EGFR
SCHEMBL22595435 0.88 EGFR (0.40) EGFRMEN1KMT2AIGF1R
SCHEMBL30018877 0.88 EGFR (0.40) EGFRMEN1KMT2AIGF1R
SCHEMBL25641326 0.86 EGFR (0.40) EGFR
SCHEMBL25056113 0.82 ADRA2A (0.48) EGFRMEN1KMT2AIGF1R
SCHEMBL25642719 0.80 MEN1 (0.42) EGFRMEN1KMT2AIGF1R
SCHEMBL31204432 0.80 MEN1 (0.41) EGFRMEN1KMT2AIGF1R
SCHEMBL25056495 0.80 MEN1 (0.41) EGFRMEN1KMT2AIGF1R

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
CN-113166103-B EGFR inhibitor and application thereof 江苏先声药业有限公司 2022-12-16 — — CN disclosed
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