SCHEMBL24818952

SCHEMBL24818952

COc1cc(CNCC2CC2)cc2nc(-c3cccc(-c4ccc(F)cc4-c4nncn4C)c3)oc12

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ VSIR Q9H7M9 14/20 0.41
▸ KCNH2 Q12809 3/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ GRIN2B Q13224 1/20 0.39
▸ PDCD1 Q15116 10/20 0.38
▸ CD274 Q9NZQ7 10/20 0.38
▸ HTR2A P28223 2/20 0.35
▸ HTR2C P28335 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
SCHEMBL30153006 1.00 VSIR (0.41) VSIRKCNH2CYP2D6GRIN2BPDCD1
SCHEMBL30153084 0.97 VSIR (0.40) VSIRKCNH2CYP2D6GRIN2BPDCD1
SCHEMBL30152568 0.97 VSIR (0.40) VSIRKCNH2CYP2D6GRIN2BPDCD1
SCHEMBL24820273 0.97 VSIR (0.40) VSIRKCNH2CYP2D6GRIN2BPDCD1
SCHEMBL24820155 0.97 VSIR (0.40) VSIRKCNH2CYP2D6GRIN2BPDCD1
SCHEMBL24818735 0.94 VSIR (0.40) VSIRKCNH2CYP2D6GRIN2BPDCD1
SCHEMBL24819925 0.91 VSIR (0.40) VSIRKCNH2PDCD1CD274
SCHEMBL30152858 0.91 VSIR (0.40) VSIRKCNH2PDCD1CD274
SCHEMBL24818944 0.90 ATM (0.40) VSIRKCNH2PDCD1CD274
SCHEMBL24821759 0.90 ATM (0.40) VSIRKCNH2PDCD1CD274

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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