SCHEMBL29190136

SCHEMBL29190136

CC1CN(Cc2cc(C(F)(F)F)c3oc(-c4cccc(-c5ccccc5)c4-c4nncn4C)nc3c2)CCO1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CBLB Q13191 6/20 0.41
▸ CNR2 P34972 4/20 0.39
▸ PDCD1 Q15116 6/20 0.38
▸ CD274 Q9NZQ7 6/20 0.38
▸ GRM2 Q14416 3/20 0.36
▸ KCNH2 Q12809 1/20 0.36
▸ S1PR1 P21453 1/20 0.34
▸ S1PR3 Q99500 1/20 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
SCHEMBL24819871 0.91 CBLB (0.42) CBLBCNR2PDCD1CD274GRM2
SCHEMBL29190135 0.91 CBLB (0.42) CBLBCNR2PDCD1CD274GRM2
SCHEMBL30152915 0.91 CBLB (0.42) CBLBCNR2PDCD1CD274GRM2
SCHEMBL29189890 0.89 CBLB (0.44) CBLBCNR2PDCD1CD274S1PR1
SCHEMBL24818677 0.84 CBLB (0.40) CBLBCNR2PDCD1CD274GRM2
SCHEMBL24819893 0.84 CBLB (0.40) CBLBCNR2PDCD1CD274GRM2
SCHEMBL29190139 0.80 CNR2 (0.40) CBLBCNR2GRM2KCNH2
SCHEMBL29190140 0.80 CNR2 (0.40) CBLBCNR2GRM2KCNH2
SCHEMBL29190111 0.80 PDCD1 (0.43) PDCD1CD274S1PR1S1PR3
SCHEMBL29190108 0.80 PDCD1 (0.43) PDCD1CD274S1PR1S1PR3

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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