SCHEMBL29190048

SCHEMBL29190048

CN1CCCC(NCc2cc(C(F)(F)F)c3[nH]c(-c4c(F)ccc(-c5ccccc5)c4-c4nncn4C)nc3c2)C1=O

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ IDH1 O75874 1/20 0.34
▸ CBLB Q13191 1/20 0.34
▸ IL1B P01584 2/20 0.31
▸ S1PR1 P21453 1/20 0.31
▸ S1PR3 Q99500 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
SCHEMBL29190042 1.00 IDH1 (0.34) IDH1CBLBIL1BS1PR1S1PR3
SCHEMBL30152844 0.85 CBLB (0.38) IDH1CBLB
SCHEMBL29190130 0.81 VSIR (0.33) CBLBS1PR1
SCHEMBL29190141 0.78 CBLB (0.34) CBLB
SCHEMBL29190140 0.77 CNR2 (0.40) CBLB
SCHEMBL29190139 0.77 CNR2 (0.40) CBLB
SCHEMBL29189982 0.73 S1PR1 (0.35) CBLBS1PR1S1PR3
SCHEMBL29189916 0.72 S1PR1 (0.35) CBLBS1PR1S1PR3
SCHEMBL24818679 0.72 IDH1 (0.38) IDH1CBLB
SCHEMBL29190090 0.70 CD274 (0.35) S1PR1S1PR3

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