SCHEMBL27154222

SCHEMBL27154222

Cc1cc(Nc2ncnn3ccc(C4CCN(C(=O)O)CC4)c23)ccc1Oc1ccn2ncnc2c1

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ERBB2 P04626 16/20 0.51
▸ EGFR P00533 10/20 0.51
▸ NQO2 P16083 1/20 0.49
▸ FECH P22830 1/20 0.49
▸ MYH14 Q7Z406 1/20 0.49
▸ RIPK3 Q9Y572 1/20 0.49

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
SCHEMBL27154174 0.97 ERBB2 (0.52) ERBB2EGFRNQO2FECHMYH14
SCHEMBL27155274 0.91 ERBB2 (0.51) ERBB2EGFRNQO2FECHMYH14
SCHEMBL27151485 0.91 ERBB2 (0.51) ERBB2EGFRNQO2FECHMYH14
SCHEMBL27152997 0.91 ERBB2 (0.50) ERBB2EGFRNQO2FECHMYH14
SCHEMBL27150702 0.90 ERBB2 (0.48) ERBB2EGFRNQO2FECHMYH14
SCHEMBL27153671 0.90 ERBB2 (0.49) ERBB2EGFRNQO2FECHMYH14
Acetic Acid SCHEMBL27203283 0.90 ERBB2 (0.48) ERBB2EGFRNQO2FECHMYH14
SCHEMBL27149810 0.90 ERBB2 (0.51) ERBB2EGFRNQO2FECHMYH14
SCHEMBL27148580 0.90 ERBB2 (0.51) ERBB2EGFRNQO2FECHMYH14
SCHEMBL27149158 0.90 ERBB2 (0.51) 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-2024044570-A1 COMPOUNDS AND METHODS FOR MODULATING HER2 IAMBIC THERAPEUTICS, INC. (US) 2024-02-29 — — WO disclosed
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