SCHEMBL30032119

SCHEMBL30032119

COc1ccc(Br)cc1Nc1ncnc2cc(OC)c(OC3CN(C(=O)OC(C)(C)C)C3)cc12

nearest known ligand 0.57

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ EPHA2 P29317 2/20 0.57
▸ EGFR P00533 18/20 0.56
▸ ERBB2 P04626 10/20 0.56

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
SCHEMBL27148662 1.00 EPHA2 (0.57) EPHA2EGFRERBB2
SCHEMBL30820474 1.00 EPHA2 (0.57) EPHA2EGFRERBB2
SCHEMBL27152211 0.92 EGFR (0.62) EPHA2EGFRERBB2
SCHEMBL30820508 0.92 EGFR (0.62) EPHA2EGFRERBB2
SCHEMBL30822092 0.86 EGFR (0.56) EPHA2EGFRERBB2
SCHEMBL27136650 0.86 EGFR (0.56) EPHA2EGFRERBB2
SCHEMBL27151817 0.86 EGFR (0.54) EPHA2EGFRERBB2
SCHEMBL29781269 0.84 EGFR (0.77) EPHA2EGFRERBB2
SCHEMBL3966911 0.84 EGFR (0.77) EPHA2EGFRERBB2
SCHEMBL24037596 0.82 EGFR (0.55) EPHA2EGFRERBB2

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
WO-2022225238-A1 HETEROARYL DERIVATIVE COMPOUND AND USE THEREOF 보로노이 주식회사 2022-10-27 — — WO disclosed
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