SCHEMBL29015712

SCHEMBL29015712

COc1cc(N2CCC(N3CCN(C)CC3)CC2)ccc1N(c1ncc(Cl)c(N)n1)c1cccc2c1N(S(C)(=O)=O)CC2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 9/20 0.49
▸ MET P08581 3/20 0.49
▸ ALK Q9UM73 13/20 0.47
▸ INSR P06213 10/20 0.47
▸ IGF1R P08069 10/20 0.47
▸ CHEK1 O14757 2/20 0.44
▸ AURKA O14965 2/20 0.44
▸ NUAK1 O60285 2/20 0.44
▸ JAK2 O60674 2/20 0.44
▸ STK10 O94804 2/20 0.44
▸ PRKD3 O94806 2/20 0.44
▸ CHEK2 O96017 2/20 0.44
▸ ABL1 P00519 2/20 0.44
▸ ERBB2 P04626 2/20 0.44
▸ LCK P06239 2/20 0.44
▸ FYN P06241 2/20 0.44
▸ FES P07332 2/20 0.44
▸ CSF1R P07333 2/20 0.44
▸ YES1 P07947 2/20 0.44
▸ LYN P07948 2/20 0.44

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
SCHEMBL29015756 0.93 EGFR (0.44) EGFRMETALKINSRIGF1R
SCHEMBL29015739 0.86 EGFR (0.41) EGFRMETALKINSRIGF1R
SCHEMBL29015729 0.86 EGFR (0.42) EGFRMETALKINSRIGF1R
SCHEMBL29015781 0.84 ALK (0.47) EGFRMETALKINSRIGF1R
SCHEMBL21715308 0.83 ALK (0.60) EGFRMETALKINSRIGF1R
SCHEMBL26778364 0.77 ALK (0.77) EGFRMETALKINSRIGF1R
SCHEMBL24328498 0.76 ALK (0.64) EGFRMETALKINSRIGF1R
SCHEMBL1376839 0.76 ZAP70 (0.47) EGFRMETALKINSRIGF1R
SCHEMBL31592456 0.74 EGFR (0.56) EGFRMETALKINSRIGF1R
SCHEMBL29661303 0.73 ALK (0.75) EGFRMETALKINSRIGF1R

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-116249690-A Indoline compounds and derivatives as EGFR inhibitors 百济神州有限公司 2023-06-09 — — CN disclosed
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