SCHEMBL24818679

SCHEMBL24818679

CN1CCC[C@H](NCc2ccc3[nH]c(-c4cccc(-c5ccc(F)cc5-c5nncn5C)c4)nc3c2)C1=O

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ IDH1 O75874 1/20 0.38
▸ ROCK2 O75116 1/20 0.34
▸ KCNH2 Q12809 1/20 0.32
▸ VSIR Q9H7M9 1/20 0.32
▸ CBLB Q13191 1/20 0.32
▸ DGAT2 Q96PD7 1/20 0.32
▸ MAP3K5 Q99683 3/20 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
SCHEMBL30152844 0.88 CBLB (0.38) IDH1CBLB
SCHEMBL30153003 0.84 CD274 (0.35) KCNH2VSIRMAP3K5
SCHEMBL24818678 0.84 CD274 (0.35) KCNH2VSIRMAP3K5
SCHEMBL30152678 0.80 GUSB (0.36) VSIR
SCHEMBL24818859 0.80 GUSB (0.36) VSIR
SCHEMBL24818813 0.80 GUSB (0.36) VSIR
SCHEMBL24819848 0.79 VSIR (0.39) VSIR
SCHEMBL30152909 0.78 VSIR (0.38) KCNH2VSIR
SCHEMBL24818669 0.78 VSIR (0.38) KCNH2VSIR
SCHEMBL24821952 0.75 CBLB (0.34) KCNH2CBLB

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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