SCHEMBL24818946

SCHEMBL24818946

Cn1cnnc1-c1cc(F)ccc1-c1cccc(-c2nc3cc(CN4CCC[C@@H](O)C4)cc(C(F)(F)F)c3o2)c1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PDCD1 Q15116 5/20 0.39
▸ CD274 Q9NZQ7 5/20 0.39
▸ S1PR1 P21453 6/20 0.38
▸ S1PR3 Q99500 5/20 0.38
▸ PDE2A O00408 1/20 0.37
▸ CBLB Q13191 4/20 0.36
▸ VSIR Q9H7M9 1/20 0.36
▸ CNR2 P34972 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ MAP4K4 O95819 2/20 0.34

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
SCHEMBL24822059 0.96 PDCD1 (0.43) PDCD1CD274S1PR1S1PR3CBLB
SCHEMBL24819884 0.96 PDCD1 (0.43) PDCD1CD274S1PR1S1PR3CBLB
SCHEMBL24818829 0.93 CBLB (0.42) S1PR1S1PR3PDE2ACBLBCNR2
SCHEMBL24820117 0.91 HRH1 (0.41) S1PR1S1PR3PDE2ACBLBTP53
SCHEMBL30152972 0.91 HRH1 (0.41) S1PR1S1PR3PDE2ACBLBTP53
SCHEMBL24818393 0.91 HRH1 (0.41) S1PR1S1PR3PDE2ACBLBTP53
SCHEMBL24820104 0.91 HRH1 (0.41) S1PR1S1PR3PDE2ACBLBTP53
SCHEMBL24818755 0.89 GRM2 (0.38) PDCD1CD274S1PR1S1PR3PDE2A
SCHEMBL24818663 0.87 CBLB (0.40) CBLB
SCHEMBL24819893 0.87 CBLB (0.40) PDCD1CD274S1PR1S1PR3CBLB

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
WO-2022272248-A1 CBL-B MODULATORS AND USES THEREOF NIMBUS CLIO, INC. (US) 2022-12-29 — — WO disclosed
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