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SCHEMBL24820275

SCHEMBL24820275

Cn1cnnc1-c1cc(F)ccc1-c1cccc(-c2nc3cc(CNC4CCCCC4)cc(C(F)(F)F)c3o2)c1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 5/20 0.40
▸ CBLB Q13191 5/20 0.36
▸ VSIR Q9H7M9 2/20 0.35
▸ CYP2D6 P10635 1/20 0.34
▸ GRIN2B Q13224 1/20 0.34
▸ WDR5 P61964 2/20 0.32
▸ S1PR1 P21453 5/20 0.32
▸ S1PR3 Q99500 5/20 0.32
▸ PDCD1 Q15116 1/20 0.31
▸ CD274 Q9NZQ7 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
SCHEMBL24818666 0.99 KCNH2 (0.40) KCNH2CBLBVSIRCYP2D6GRIN2B
SCHEMBL24818761 0.98 KCNH2 (0.38) KCNH2CBLBVSIRCYP2D6GRIN2B
SCHEMBL24818875 0.96 VSIR (0.36) KCNH2CBLBVSIRS1PR1S1PR3
SCHEMBL24818950 0.93 CBLB (0.34) KCNH2CBLBVSIRS1PR1S1PR3
SCHEMBL24818949 0.93 CBLB (0.34) KCNH2CBLBVSIRS1PR1S1PR3
SCHEMBL24821917 0.91 VSIR (0.36) KCNH2CBLBVSIRS1PR1S1PR3
SCHEMBL24818741 0.91 VSIR (0.36) KCNH2CBLBVSIRS1PR1S1PR3
SCHEMBL24818739 0.91 VSIR (0.36) KCNH2CBLBVSIRS1PR1S1PR3
SCHEMBL24820025 0.90 VSIR (0.35) KCNH2CBLBVSIRS1PR1S1PR3
SCHEMBL24820029 0.90 VSIR (0.35) KCNH2CBLBVSIRS1PR1S1PR3

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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