SCHEMBL30050673

SCHEMBL30050673

Cc1c(Oc2ccn3ncnc3c2)ccc(Nc2ncnc3ccc(OC4CCN(C(=O)OC(C)(C)C)CC4)nc23)c1F

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 4/20 0.44
ERBB2 P04626 16/20 0.44
EGFR P00533 7/20 0.40
NQO2 P16083 1/20 0.39
FECH P22830 1/20 0.39
MYH14 Q7Z406 1/20 0.39
RIPK3 Q9Y572 1/20 0.39

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
SCHEMBL30050692 0.93 GPR119 (0.44) GPR119ERBB2EGFRRIPK3
SCHEMBL24807726 0.90 EGFR (0.47) ERBB2EGFRRIPK3
SCHEMBL30049652 0.90 EGFR (0.47) ERBB2EGFRRIPK3
SCHEMBL30051115 0.89 ERBB2 (0.53) ERBB2EGFRNQO2FECHMYH14
SCHEMBL30050885 0.88 ERBB2 (0.41) GPR119ERBB2EGFRNQO2FECH
SCHEMBL30050007 0.88 ERBB2 (0.41) GPR119ERBB2EGFRNQO2FECH
SCHEMBL30050250 0.88 ERBB2 (0.41) GPR119ERBB2EGFRNQO2FECH
SCHEMBL30050730 0.88 ERBB2 (0.40) GPR119ERBB2EGFRNQO2FECH
SCHEMBL30050436 0.88 ERBB2 (0.41) GPR119ERBB2EGFRNQO2FECH
SCHEMBL30049963 0.87 MAP4K4 (0.48) GPR119ERBB2EGFRNQO2FECH

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