SCHEMBL25663546

SCHEMBL25663546

C=CC(=O)Nc1cc2c(Nc3ccnc(-c4ccccc4F)c3)ncnc2cc1OC1CCN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.58

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 20/20 0.58
▸ KDR P35968 5/20 0.58
▸ ERBB2 P04626 1/20 0.49
▸ ERBB3 P21860 1/20 0.48
▸ DUS2 Q9NX74 1/20 0.48

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
SCHEMBL29383961 1.00 EGFR (0.58) EGFRKDRERBB2ERBB3DUS2
SCHEMBL26055469 1.00 EGFR (0.58) EGFRKDRERBB2ERBB3DUS2
SCHEMBL25216865 0.91 EGFR (0.60) EGFRKDRERBB2ERBB3DUS2
SCHEMBL25270101 0.91 EGFR (0.60) EGFRKDRERBB2ERBB3DUS2
SCHEMBL25217365 0.90 EGFR (0.58) EGFRKDRERBB3DUS2
SCHEMBL25268005 0.90 EGFR (0.58) EGFRKDRERBB3DUS2
SCHEMBL25663542 0.88 EGFR (0.48) EGFRERBB2
SCHEMBL30429745 0.88 EGFR (0.48) EGFRERBB2
SCHEMBL26055468 0.88 EGFR (0.48) EGFRERBB2
SCHEMBL25371695 0.87 EGFR (0.55) EGFRKDRERBB2ERBB3DUS2

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
EP-4194443-A1 EFGR INHIBITOR, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF Abbisko Therapeutics Co., Ltd. (CN) 2023-06-14 — — EP disclosed
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