SCHEMBL30049549

SCHEMBL30049549

C=CC(=O)N1CCC(Oc2ccc3ncnc(Nc4ccc(Oc5ccn6ccnc6c5)c(C)c4)c3n2)CC1

nearest known ligand 0.54

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 15/20 0.54
EGFR P00533 13/20 0.54

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
SCHEMBL24809511 1.00 ERBB2 (0.54) ERBB2EGFR
SCHEMBL30050553 0.89 ERBB2 (0.49) ERBB2EGFR
SCHEMBL30050657 0.89 EGFR (0.53) ERBB2EGFR
SCHEMBL24807827 0.89 EGFR (0.53) ERBB2EGFR
SCHEMBL30049640 0.89 ERBB2 (0.54) ERBB2EGFR
SCHEMBL24809491 0.89 ERBB2 (0.54) ERBB2EGFR
Hydrochloric Acid SCHEMBL30050622 0.85 ERBB2 (0.59) ERBB2EGFR
SCHEMBL24807692 0.84 ERBB2 (0.54) ERBB2EGFR
SCHEMBL24809509 0.84 EGFR (0.54) ERBB2EGFR
SCHEMBL30050042 0.84 EGFR (0.54) ERBB2EGFR

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-2022269531-A1 HER2 MUTATION INHIBITORS ARRAY BIOPHARMA INC. (US) 2022-12-29 WO disclosed