SCHEMBL24818932

SCHEMBL24818932

COc1cc(CN[C@@H]2CCC[C@@H]2OC)cc2nc(-c3cccc(-c4ccc(F)cc4-c4nncn4C)c3)oc12

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ KCNH2 Q12809 5/20 0.38
▸ VSIR Q9H7M9 5/20 0.34
▸ CYP2D6 P10635 1/20 0.33
▸ GRIN2B Q13224 1/20 0.33
▸ PDCD1 Q15116 4/20 0.32
▸ CD274 Q9NZQ7 4/20 0.32
▸ LMNA P02545 1/20 0.31
▸ HCRTR1 O43613 2/20 0.31
▸ OPRK1 P41145 1/20 0.31
▸ TACR1 P25103 1/20 0.30
▸ CLK1 P49759 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL24820556 0.93 KCNH2 (0.35) KDM4EALDH1A1KCNH2VSIRCYP2D6
SCHEMBL30153133 0.93 KCNH2 (0.35) KDM4EALDH1A1KCNH2VSIRCYP2D6
SCHEMBL24819863 0.93 CD274 (0.39) KCNH2VSIRPDCD1CD274HCRTR1
SCHEMBL24819926 0.92 KCNH2 (0.47) KDM4EALDH1A1KCNH2VSIRCYP2D6
SCHEMBL30152560 0.91 CBLB (0.34) KDM4EALDH1A1KCNH2VSIRPDCD1
SCHEMBL24818710 0.91 CBLB (0.34) KDM4EALDH1A1KCNH2VSIRPDCD1
SCHEMBL30153084 0.88 VSIR (0.40) KCNH2VSIRCYP2D6GRIN2BPDCD1
SCHEMBL24820155 0.88 VSIR (0.40) KCNH2VSIRCYP2D6GRIN2BPDCD1
SCHEMBL24820273 0.87 VSIR (0.40) KCNH2VSIRCYP2D6GRIN2BPDCD1
SCHEMBL30152568 0.87 VSIR (0.40) KCNH2VSIRCYP2D6GRIN2BPDCD1

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 4 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
CN-117858865-A CBL-B modulators and uses thereof 林伯士克莱奥公司 2024-04-09 — — CN 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