SCHEMBL30050436

SCHEMBL30050436

Cc1c(Oc2ccn3ncnc3c2)ccc(Nc2ncnc3ccc(C4CCCN(C(=O)OC(C)(C)C)CC4)nc23)c1F

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 11/20 0.41
EGFR P00533 6/20 0.41
GPR119 Q8TDV5 6/20 0.40
NQO2 P16083 1/20 0.38
FECH P22830 1/20 0.38
MYH14 Q7Z406 1/20 0.38
RIPK3 Q9Y572 1/20 0.38
BRAF P15056 1/20 0.37

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
SCHEMBL30050007 1.00 ERBB2 (0.41) ERBB2EGFRGPR119NQO2FECH
SCHEMBL30050885 1.00 ERBB2 (0.41) ERBB2EGFRGPR119NQO2FECH
SCHEMBL30050250 1.00 ERBB2 (0.41) ERBB2EGFRGPR119NQO2FECH
SCHEMBL24807857 0.90 EGFR (0.45) ERBB2EGFRNQO2FECHMYH14
SCHEMBL24809226 0.90 EGFR (0.45) ERBB2EGFRNQO2FECHMYH14
SCHEMBL30049954 0.90 EGFR (0.45) ERBB2EGFRNQO2FECHMYH14
SCHEMBL30050697 0.90 EGFR (0.45) ERBB2EGFRNQO2FECHMYH14
SCHEMBL24810260 0.89 ERBB2 (0.42) ERBB2EGFRNQO2FECHMYH14
SCHEMBL30050216 0.89 ERBB2 (0.42) ERBB2EGFRNQO2FECHMYH14
SCHEMBL30049435 0.88 ERBB2 (0.39) ERBB2EGFRNQO2FECHMYH14

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