SCHEMBL24819926

SCHEMBL24819926

COc1cc(CNC2CCC2)cc2nc(-c3cccc(-c4ccc(F)cc4-c4nncn4C)c3)oc12

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 6/20 0.47
▸ CYP2D6 P10635 1/20 0.41
▸ GRIN2B Q13224 1/20 0.41
▸ VSIR Q9H7M9 4/20 0.36
▸ ALDH1A1 P00352 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ HTT P42858 1/20 0.34
▸ MCHR1 Q99705 1/20 0.34
▸ PDCD1 Q15116 2/20 0.33
▸ CD274 Q9NZQ7 2/20 0.33
▸ CLK1 P49759 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ BCHE P06276 1/20 0.32
▸ ACHE P22303 1/20 0.32
▸ BACE1 P56817 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32

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
SCHEMBL24818932 0.92 KDM4E (0.40) KCNH2CYP2D6GRIN2BVSIRALDH1A1
SCHEMBL30152743 0.92 KCNH2 (0.39) KCNH2CYP2D6GRIN2BVSIRALDH1A1
SCHEMBL24818733 0.92 KCNH2 (0.39) KCNH2CYP2D6GRIN2BVSIRALDH1A1
SCHEMBL24818734 0.92 KCNH2 (0.39) KCNH2CYP2D6GRIN2BVSIRALDH1A1
SCHEMBL24819863 0.91 CD274 (0.39) KCNH2VSIRPDCD1CD274
SCHEMBL30153084 0.91 VSIR (0.40) KCNH2CYP2D6GRIN2BVSIRPDCD1
SCHEMBL24820155 0.91 VSIR (0.40) KCNH2CYP2D6GRIN2BVSIRPDCD1
SCHEMBL24818964 0.90 KCNH2 (0.36) KCNH2CYP2D6GRIN2BVSIRPDCD1
SCHEMBL30153012 0.90 KCNH2 (0.36) KCNH2CYP2D6GRIN2BVSIRPDCD1
SCHEMBL24820273 0.89 VSIR (0.40) KCNH2CYP2D6GRIN2BVSIRPDCD1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4359381-A1 CBL-B MODULATORS AND USES THEREOF Nimbus Clio, Inc. (US) 2024-05-01 — — EP disclosed
WO-2022272248-A1 CBL-B MODULATORS AND USES THEREOF NIMBUS CLIO, INC. (US) 2022-12-29 — — WO disclosed
WO-2022272248-A1 CBL-B MODULATORS AND USES THEREOF NIMBUS CLIO, INC. (US) 2022-12-29 — — WO disclosed
Send feedback