SCHEMBL30787550

SCHEMBL30787550

CCOC(=O)c1ccn2ncnc(Nc3ccc(Oc4ccn5ncnc5c4)c(C)c3)c12

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 4/20 0.53
▸ AAK1 Q2M2I8 4/20 0.52
▸ MAP2K1 Q02750 1/20 0.51
▸ EGFR P00533 8/20 0.51
▸ ERBB2 P04626 8/20 0.51
▸ NQO2 P16083 1/20 0.51
▸ FECH P22830 1/20 0.51
▸ MYH14 Q7Z406 1/20 0.51
▸ RIPK3 Q9Y572 1/20 0.51

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
SCHEMBL27155176 1.00 KDR (0.53) KDRAAK1MAP2K1EGFRERBB2
SCHEMBL21561488 0.92 ERBB2 (0.53) KDREGFRERBB2NQO2FECH
SCHEMBL27153489 0.89 ERBB2 (0.53) EGFRERBB2NQO2FECHMYH14
SCHEMBL27150087 0.89 ERBB2 (0.53) EGFRERBB2NQO2FECHMYH14
SCHEMBL23096260 0.86 ERBB2 (0.57) EGFRERBB2NQO2FECHMYH14
SCHEMBL27155177 0.83 EGFR (0.49) KDREGFRERBB2NQO2FECH
SCHEMBL21561554 0.83 ERBB2 (0.54) KDREGFRERBB2NQO2FECH
Hydrochloric Acid SCHEMBL27154319 0.82 EGFR (0.49) KDREGFRERBB2NQO2FECH
SCHEMBL21561486 0.82 ERBB2 (0.58) KDREGFRERBB2NQO2FECH
SCHEMBL21561495 0.81 ERBB2 (0.54) EGFRERBB2NQO2FECHMYH14

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4577549-A1 COMPOUNDS AND METHODS FOR MODULATING HER2 Iambic Therapeutics, Inc. (US) 2025-07-02 — — EP disclosed
WO-2024044570-A1 COMPOUNDS AND METHODS FOR MODULATING HER2 IAMBIC THERAPEUTICS, INC. (US) 2024-02-29 — — WO disclosed
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