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SCHEMBL25920940

SCHEMBL25920940

COc1cc2c(Nc3ccc(Oc4ccccc4)cc3)c(C#N)cnc2cc1OCCCN1CCN(CCCCCCOCCOCCOCCCCCC=O)CC1

nearest known ligand 0.72

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ MAP2K1 Q02750 15/20 0.72
▸ RAF1 P04049 5/20 0.72
▸ MAPK3 P27361 1/20 0.72
▸ MAPK1 P28482 1/20 0.72
▸ SRC P12931 4/20 0.57
▸ WEE2 P0C1S8 1/20 0.55
▸ WEE1 P30291 1/20 0.55
▸ PKMYT1 Q99640 1/20 0.55

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
SCHEMBL25920182 0.87 MAP2K1 (0.85) MAP2K1RAF1MAPK3MAPK1SRC
SCHEMBL25920207 0.84 MAP2K1 (0.83) MAP2K1RAF1MAPK3MAPK1SRC
SCHEMBL346145 0.84 MAP2K1 (1.00) MAP2K1RAF1MAPK3MAPK1SRC
SCHEMBL25921963 0.83 MAP2K1 (0.64) MAP2K1RAF1MAPK3MAPK1SRC
SCHEMBL4956978 0.81 MAP2K1 (0.75) MAP2K1RAF1MAPK3MAPK1SRC
SCHEMBL31748812 0.81 MAP2K1 (0.75) MAP2K1RAF1MAPK3MAPK1SRC
SCHEMBL25920191 0.80 MAP2K1 (0.84) MAP2K1RAF1MAPK3MAPK1SRC
SCHEMBL4957598 0.80 MAP2K1 (0.70) MAP2K1RAF1MAPK3MAPK1SRC
SCHEMBL4954840 0.80 MAP2K1 (0.70) MAP2K1RAF1MAPK3MAPK1SRC
SCHEMBL14116885 0.80 SRC (0.74) 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