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SCHEMBL25922112

SCHEMBL25922112

COc1cc2c(Nc3ccc(Oc4ccccc4)cc3)c(C#N)cnc2cc1OCCCN1CCN(CCCCCCOCCOCCOCCOc2cc(-c3scnc3C)ccc2CNC(=O)[C@@H]2C[C@@H](O)CC2C(=O)[C@H](C(C)C)N2Cc3ccccc3C2=O)CC1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ VHL P40337 6/20 0.53
▸ ABL1 P00519 2/20 0.49
▸ BCR P11274 2/20 0.49
▸ EGFR P00533 10/20 0.47
▸ MAP2K1 Q02750 3/20 0.45
▸ RAF1 P04049 2/20 0.45
▸ MAPK3 P27361 1/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ TRIM24 O15164 1/20 0.43
▸ NTMT1 Q9BV86 2/20 0.41

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
SCHEMBL25921972 1.00 VHL (0.53) VHLABL1BCREGFRMAP2K1
SCHEMBL25922038 1.00 VHL (0.53) VHLABL1BCREGFRMAP2K1
SCHEMBL25922159 0.95 VHL (0.49) VHLABL1BCREGFRMAP2K1
SCHEMBL25921821 0.92 ABL1 (0.59) VHLABL1BCREGFRMAP2K1
SCHEMBL25921891 0.92 ABL1 (0.59) VHLABL1BCREGFRMAP2K1
SCHEMBL25921939 0.92 ABL1 (0.59) VHLABL1BCREGFRMAP2K1
SCHEMBL25922231 0.91 VHL (0.50) VHLABL1BCREGFRTRIM24
SCHEMBL25921963 0.80 MAP2K1 (0.64) VHLABL1BCRMAP2K1RAF1
SCHEMBL25921741 0.80 VHL (0.79) VHLEGFRTRIM24NTMT1
SCHEMBL25921777 0.80 VHL (0.79) VHLEGFRTRIM24NTMT1

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-2023141635-A2 HER3 LIGANDS AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-07-27 — — WO disclosed