SCHEMBL24976105

SCHEMBL24976105

CC(=O)N1/C(=C\c2cc(-c3cccc(-c4cnn(C)c4)c3)c3cc(CN(C(=O)OC(C)(C)C)C4CCOCC4)ccc3n2)C(=O)c2ccccc21

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CREBBP Q92793 9/20 0.33
MET P08581 3/20 0.32
BRD4 O60885 7/20 0.32
IRAK1 P51617 4/20 0.32
MAPK1 P28482 1/20 0.32
IRAK4 Q9NWZ3 2/20 0.31
MST1R Q04912 1/20 0.31
PDE9A O76083 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 1/20 0.31

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
SCHEMBL31428533 1.00 CREBBP (0.33) CREBBPMETBRD4IRAK1MAPK1
SCHEMBL31428785 0.96 PDE9A (0.34) CREBBPMETBRD4MAPK1MST1R
SCHEMBL31428693 0.94 ALDH1A1 (0.33) MAPK1
SCHEMBL24976132 0.89 ALDH1A1 (0.34) MAPK1
SCHEMBL31428821 0.86 IRAK1 (0.36) CREBBPMETBRD4IRAK1MAPK1
SCHEMBL24975439 0.86 IRAK1 (0.36) CREBBPMETBRD4IRAK1MAPK1
SCHEMBL31428765 0.84 ALDH1A1 (0.32) MAPK1
SCHEMBL31428763 0.84 PDCD1 (0.44) CREBBPMETIRAK1MAPK1IRAK4
SCHEMBL24975829 0.84 MAPK1 (0.32) CREBBPMAPK1
SCHEMBL31428620 0.84 MAPK1 (0.32) CREBBPMAPK1

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-2023008577-A1 RAS/RAF BINDING INHIBITOR COMPOUND 国立大学法人神戸大学 2023-02-02 WO disclosed