SCHEMBL22689239

SCHEMBL22689239

C=CC(=O)Nc1cc(Nc2ncc(C#N)c(-c3cn(C4COC4)c4ccccc34)n2)c(OC)cc1N(C)CCN(C)C

nearest known ligand 0.83

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
EGFR P00533 20/20 0.83
KCNH2 Q12809 3/20 0.81
IGF1R P08069 2/20 0.81

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
SCHEMBL29588254 1.00 EGFR (0.83) EGFRKCNH2IGF1R
SCHEMBL22695155 0.95 EGFR (0.84) EGFRKCNH2IGF1R
SCHEMBL29588348 0.95 EGFR (0.84) EGFRKCNH2IGF1R
Bromide SCHEMBL29588563 0.95 EGFR (0.84) EGFRKCNH2IGF1R
Hydrochloric Acid SCHEMBL29588253 0.94 EGFR (0.83) EGFRKCNH2IGF1R
SCHEMBL22695277 0.93 EGFR (0.72) EGFRKCNH2IGF1R
SCHEMBL29588690 0.93 EGFR (0.72) EGFRKCNH2IGF1R
SCHEMBL19532469 0.92 EGFR (0.87) EGFRKCNH2IGF1R
Glycine SCHEMBL29588700 0.91 EGFR (0.78) EGFRKCNH2IGF1R
SCHEMBL30017478 0.91 EGFR (0.78) EGFRKCNH2IGF1R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3974423-A1 INDOLE DERIVATIVE-CONTAINING INHIBITOR, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF Shanghai Hansoh Biomedical Co., Ltd. (CN) 2022-03-30 EP disclosed
WO-2020233669-A1 INDOLE DERIVATIVE-CONTAINING INHIBITOR, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 上海翰森生物医药科技有限公司 (CN) 2020-11-26 WO disclosed
WO-2020233669-A1 INDOLE DERIVATIVE-CONTAINING INHIBITOR, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 上海翰森生物医药科技有限公司 (CN) 2020-11-26 WO disclosed