Sugi Predict

Sugi Predict / Compounds / SCHEMBL25921963

SCHEMBL25921963

SCHEMBL25921963

COc1cc2c(Nc3ccc(Oc4ccccc4)cc3)c(C#N)cnc2cc1OCCCN1CCN(CCCCCCOCCOc2cc(-c3scnc3C)ccc2C)CC1

nearest known ligand 0.64

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MAP2K1 Q02750 14/20 0.64
▸ RAF1 P04049 4/20 0.64
▸ MAPK3 P27361 1/20 0.64
▸ MAPK1 P28482 1/20 0.64
▸ SRC P12931 3/20 0.51
▸ ABL1 P00519 2/20 0.49
▸ BCR P11274 2/20 0.49
▸ VHL P40337 2/20 0.49
▸ IGF1R P08069 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
SCHEMBL25922329 0.88 MAP2K1 (0.53) MAP2K1RAF1MAPK3MAPK1SRC
SCHEMBL25920940 0.83 MAP2K1 (0.72) MAP2K1RAF1MAPK3MAPK1SRC
SCHEMBL25920182 0.81 MAP2K1 (0.85) MAP2K1RAF1MAPK3MAPK1SRC
SCHEMBL25922112 0.80 VHL (0.53) MAP2K1RAF1MAPK3MAPK1ABL1
SCHEMBL25922038 0.80 VHL (0.53) MAP2K1RAF1MAPK3MAPK1ABL1
SCHEMBL25921972 0.80 VHL (0.53) MAP2K1RAF1MAPK3MAPK1ABL1
SCHEMBL346145 0.79 MAP2K1 (1.00) MAP2K1RAF1MAPK3MAPK1SRC
SCHEMBL25920207 0.79 MAP2K1 (0.83) MAP2K1RAF1MAPK3MAPK1SRC
SCHEMBL4956978 0.76 MAP2K1 (0.75) MAP2K1RAF1MAPK3MAPK1SRC
SCHEMBL31748812 0.76 MAP2K1 (0.75) MAP2K1RAF1MAPK3MAPK1SRC

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