SCHEMBL30152703

SCHEMBL30152703

COC(=O)c1ccc2[nH]c(-c3cc(-c4ccc(F)cc4-c4nncn4C)cc(C4CC4)n3)nc2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 3/20 0.40
▸ RHEB Q15382 1/20 0.36
▸ MAP3K5 Q99683 2/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ PKM P14618 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ NFKB1 P19838 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ NFKB2 Q00653 1/20 0.34
▸ RELA Q04206 1/20 0.34
▸ IDH1 O75874 1/20 0.34
▸ KCNH2 Q12809 3/20 0.33
▸ CYP11B2 P19099 2/20 0.33
▸ GRM2 Q14416 1/20 0.33
▸ MMP2 P08253 1/20 0.33
▸ MMP9 P14780 1/20 0.33

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
SCHEMBL24820081 1.00 BRD4 (0.40) BRD4RHEBMAP3K5SMN1; SMN2KDM4E
SCHEMBL24821830 0.85 BRD4 (0.44) BRD4RHEBMAP3K5SMN1; SMN2KDM4E
SCHEMBL30153162 0.85 BRD4 (0.37) BRD4MAP3K5KCNH2SSTR2CBLB
SCHEMBL30153169 0.85 SSTR2 (0.34) MAP3K5KCNH2SSTR2CBLB
SCHEMBL24821950 0.85 BRD4 (0.37) BRD4MAP3K5KCNH2SSTR2CBLB
SCHEMBL24820080 0.85 SSTR2 (0.34) MAP3K5KCNH2SSTR2CBLB
SCHEMBL30152867 0.84 MAPT (0.38) MAP3K5SMN1; SMN2KDM4ENPC1ALDH1A1
SCHEMBL24818763 0.84 MAPT (0.38) MAP3K5SMN1; SMN2KDM4ENPC1ALDH1A1
SCHEMBL30792132 0.84 MAPT (0.38) MAP3K5SMN1; SMN2KDM4ENPC1ALDH1A1
SCHEMBL24821952 0.80 CBLB (0.34) KCNH2SSTR2CBLB

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
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
Send feedback