SCHEMBL30050657

SCHEMBL30050657

C=CC(=O)N1CCC(Oc2ccc3ncnc(Nc4ccc(Oc5cnn6ccnc6c5)c(C)c4)c3n2)CC1

nearest known ligand 0.53

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EGFR P00533 14/20 0.53
ERBB2 P04626 12/20 0.53

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
SCHEMBL24807827 1.00 EGFR (0.53) EGFRERBB2
SCHEMBL24807848 0.93 EGFR (0.59) EGFRERBB2
SCHEMBL30049640 0.91 ERBB2 (0.54) EGFRERBB2
SCHEMBL24809491 0.91 ERBB2 (0.54) EGFRERBB2
SCHEMBL30050523 0.90 ERBB2 (0.45) EGFRERBB2
SCHEMBL24809511 0.89 ERBB2 (0.54) EGFRERBB2
SCHEMBL30049549 0.89 ERBB2 (0.54) EGFRERBB2
SCHEMBL24807724 0.89 EGFR (0.47) EGFRERBB2
SCHEMBL30050731 0.86 ERBB2 (0.47) EGFRERBB2
SCHEMBL31257421 0.85 EGFR (0.56) EGFRERBB2

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