SCHEMBL30153196

SCHEMBL30153196

[2H]C([2H])(NCC1(O)CCC1)c1cc(C(F)(F)F)c2oc(-c3cccc(-c4ccc(F)cc4-c4nncn4C)c3)nc2c1

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CBLB Q13191 1/20 0.35
▸ VSIR Q9H7M9 2/20 0.35
▸ CETP P11597 1/20 0.30
▸ S1PR1 P21453 1/20 0.30
▸ S1PR3 Q99500 1/20 0.30
▸ TTK P33981 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
SCHEMBL24818681 0.93 CBLB (0.41) CBLBVSIRCETPS1PR1S1PR3
SCHEMBL24819853 0.92 CBLB (0.40) CBLBVSIRCETPS1PR1S1PR3
SCHEMBL24819850 0.91 VSIR (0.39) CBLBVSIRCETPS1PR1S1PR3
SCHEMBL24820495 0.87 CBLB (0.41) CBLBVSIR
SCHEMBL24819885 0.87 VSIR (0.39) CBLBVSIRCETPS1PR1S1PR3
SCHEMBL24820094 0.86 VSIR (0.32) CBLBVSIRS1PR1S1PR3
SCHEMBL24818799 0.86 VSIR (0.38) CBLBVSIRCETPS1PR1S1PR3
SCHEMBL30153023 0.86 VSIR (0.38) CBLBVSIRCETPS1PR1S1PR3
SCHEMBL24820562 0.86 CBLB (0.48) CBLBVSIR
SCHEMBL24820051 0.85 CBLB (0.41) CBLBVSIR

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 2 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
Send feedback