SCHEMBL24821950

SCHEMBL24821950

Cn1cnnc1-c1cc(F)ccc1-c1cc(-c2nc3cc(C=O)ccc3[nH]2)nc(C2CC2)c1

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 1/20 0.37
▸ SSTR2 P30874 4/20 0.34
▸ KCNH2 Q12809 4/20 0.34
▸ CBLB Q13191 1/20 0.33
▸ MAP3K5 Q99683 3/20 0.32
▸ HSD11B1 P28845 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
SCHEMBL30153162 1.00 BRD4 (0.37) BRD4SSTR2KCNH2CBLBMAP3K5
SCHEMBL24820080 0.86 SSTR2 (0.34) SSTR2KCNH2CBLBMAP3K5
SCHEMBL30153169 0.86 SSTR2 (0.34) SSTR2KCNH2CBLBMAP3K5
SCHEMBL30152801 0.86 CBLB (0.38) CBLB
SCHEMBL24821926 0.86 CBLB (0.38) CBLB
SCHEMBL24820081 0.85 BRD4 (0.40) BRD4SSTR2KCNH2CBLBMAP3K5
SCHEMBL30152703 0.85 BRD4 (0.40) BRD4SSTR2KCNH2CBLBMAP3K5
SCHEMBL24818738 0.84 BRD4 (0.40) BRD4
SCHEMBL30152726 0.84 BRD4 (0.40) BRD4
SCHEMBL24818907 0.82 CBLB (0.33) CBLBMAP3K5HSD11B1

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-2022272248-A1 CBL-B MODULATORS AND USES THEREOF NIMBUS CLIO, INC. (US) 2022-12-29 — — WO disclosed
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